User Information

• Synonyms (0)
• Vendors (2)
• Annotations (1)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (8)

ZINC37118851

• 37118851

Physical Representations

Activity (Go SEA)

• 37186189
  

  Analogs

  37118774

  

  37118775

  

  Popular Name: benzenemethanamine, N-(1,1-dimethylpropyl)-2-(1-methylethoxy)- benzenemethanamine, N-(1,1-dimet…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Aronis BB Make-on-demand

    • BLOCK91450

  • PubChem

    • 51886796
    • 43756158

  • AKOS (make-on-demand)

    • AKOS002640546

  • Enamine BB Make on Demand

    • BBV-27230341

  And 1 More

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	3.93	7.59	-29.81	2	2	1	26	236.379	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37186189
• 48463724
  

  Analogs

  37046354

  

  37046353

  

  Popular Name: N-[(1S)-1-(2-isopropoxyphenyl)ethyl]-2-methyl-propanamide N-[(1S)-1-(2-isopropoxyphenyl)et…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 60775517

  • Enamine BB Make on Demand

    • BBV-39279886

  • UORSY BB Make-on-demand

    • BBV-39279886

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	3.25	6.83	-9.73	1	3	0	38	249.354	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC48463724
• 48463725
  

  Analogs

  37046354

  

  37046353

  

  Popular Name: N-[(1R)-1-(2-isopropoxyphenyl)ethyl]-2-methyl-propanamide N-[(1R)-1-(2-isopropoxyphenyl)et…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 60775517

  • Enamine BB Make on Demand

    • BBV-39279886

  • UORSY BB Make-on-demand

    • BBV-39279886

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	3.25	6.78	-9.46	1	3	0	38	249.354	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC48463725
• 32117762
  

  Analogs

  32117765

  

  34820755

  

  34820757

  

  34820903

  

  34820905

  

  Popular Name: benzenemethanamine, a-methyl-N-[[2-(1-methylethoxy)phenyl]methyl]- benzenemethanamine, a-methyl-N-[…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Aronis BB Make-on-demand

    • BLOCK20596

  • PubChem

    • 43230687
    • 39368994

  • AKOS (make-on-demand)

    • AKOS002640473

  • Enamine BB Make on Demand

    • BBV-44579418

  And 2 More

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	4.20	9.8	-34.67	2	2	1	26	270.396	6	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	4.20	8.65	-3.52	1	2	0	21	269.388	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC32117762
• 32117765
  

  Analogs

  34820755

  

  34820757

  

  34820903

  

  34820905

  

  34820906

  

  Popular Name: benzenemethanamine, a-methyl-N-[[2-(1-methylethoxy)phenyl]methyl]- benzenemethanamine, a-methyl-N-[…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Aronis BB Make-on-demand

    • BLOCK20596

  • PubChem

    • 43230687
    • 39368998

  • AKOS (make-on-demand)

    • AKOS002640473

  • Enamine BB Make on Demand

    • BBV-44579223

  And 2 More

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	4.20	9.79	-34.48	2	2	1	26	270.396	6	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	4.20	8.65	-4.24	1	2	0	21	269.388	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC32117765
• 19738552
  

  Analogs

  34659117

  

  34659119

  

  34659124

  

  34821294

  

  34821296

  

  Popular Name: N-(2-Isopropoxybenzyl)-2-butanamine N-(2-Isopropoxybenzyl)-2-butanamine

  Find On: PubMed — Wikipedia — Google

  Vendors

  • AK Scientific

    • 7935AC

  • Matrix Scientific

    • 032214

  • Tractus

    • TRA0113515

  • Aronis BB Make-on-demand

    • BLOCK27300

  • Otava (Virtual)

    • 1372944

  And 6 More

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	3.45	7.61	-31.14	2	2	1	26	222.352	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19738552
• 32014078
  

  Analogs

  34991698

  

  34991993

  

  34991994

  

  37118782

  

  37118783

  

  Popular Name: N-[(2-isopropoxyphenyl)methyl]-2-methyl-propan-1-amine N-[(2-isopropoxyphenyl)methyl]-2…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Otava (Virtual)

    • 1372921

  • PubChem

    • 39245108

  • AKOS (make-on-demand)

    • AKOS002640078

  • Enamine BB Make on Demand

    • BBV-36828198

  • UORSY BB Make-on-demand

    • BBV-36828198

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	3.37	7.66	-33.77	2	2	1	26	222.352	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC32014078
• 19738551
  

  Analogs

  34656184

  

  34656186

  

  34659117

  

  34659119

  

  34659124

  

  Popular Name: N-(2-Isopropoxybenzyl)-2-butanamine N-(2-Isopropoxybenzyl)-2-butanamine

  Find On: PubMed — Wikipedia — Google

  Vendors

  • AK Scientific

    • 7935AC

  • Matrix Scientific

    • 032214

  • Tractus

    • TRA0113515

  • Aronis BB Make-on-demand

    • BLOCK27300

  • Otava (Virtual)

    • 1372944

  And 6 More

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	3.45	7.61	-31.4	2	2	1	26	222.352	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19738551