| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 13th, 2008 | 19 | Yes |
Popular Name: MFCD11506382 MFCD11506382
Find On: PubMed — Wikipedia — Google
CAS Number: 1185298-45-6
AMINOMETHYLPHENOXYETHYLMETHYLPHENYLAMINEDIHYDROCHLORID
N-[2-(4-Amino-3-methylphenoxy)ethyl]-N-methyl-N-phenylamine dihydrochloride
| 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) | 3.58 | 7.13 | -5.87 | 2 | 3 | 0 | 38 | 256.349 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
| 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) | 3.60 | 7.99 | -7.25 | 2 | 3 | 0 | 38 | 270.376 | 6 | ↓ |
| 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) | 3.96 | 8.09 | -7.27 | 2 | 3 | 0 | 38 | 270.376 | 6 | ↓ |
Popular Name: 4-[2-(N-ethyl-3-methyl-anilino)ethoxy]-2-methyl-aniline 4-[2-(N-ethyl-3-methyl-anilino)e…
| 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) | 4.38 | 8.73 | -6.7 | 2 | 3 | 0 | 38 | 284.403 | 6 | ↓ |
| 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) | 3.57 | 8.6 | -5.05 | 2 | 3 | 0 | 38 | 270.376 | 6 | ↓ |
Popular Name: N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-methyl-aniline N-[2-[3-(aminomethyl)phenoxy]eth…
| 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) | 2.88 | 6.61 | -44.37 | 3 | 3 | 1 | 40 | 257.357 | 6 | ↓ |
| 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) | 3.26 | 7.54 | -44.06 | 3 | 3 | 1 | 40 | 271.384 | 7 | ↓ |
Popular Name: N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-ethyl-2-methyl-aniline N-[2-[3-(aminomethyl)phenoxy]eth…
| 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) | 3.66 | 8.77 | -45.01 | 3 | 3 | 1 | 40 | 285.411 | 7 | ↓ |
| 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) | 3.55 | 8.62 | -5.27 | 2 | 3 | 0 | 38 | 270.376 | 6 | ↓ |
