| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 5th, 2010 | 11 | Yes |
Popular Name: (1S)-1-(3-CHLORO-3-FLUOROPHENYL)ETHYLAMINE-HCL (1S)-1-(3-CHLORO-3-FLUOROPHENYL)…
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CAS Numbers: 1228561-56-5 , 1253792-97-0 , 1313593-59-7
(1R)-1-(3-Chloro-2-fluorophenyl)ethanamineHYDROCHLORIDE
(1R)-1-(3-Chloro-2-fluorophenyl)ethylamine hydrochloride
(1S)-1-(3-chloro-2-fluorophenyl)ethan-1-amine
(R)-3-Chloro-2-fluoro-alpha-methylbenzylamine hydrochloride
| 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) | 0.55 | 3.85 | -48.58 | 3 | 1 | 1 | 28 | 174.626 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.55 | 3.53 | -4.1 | 2 | 1 | 0 | 26 | 173.618 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.