2-Amino-1-(4-chlorophenyl)propan-1-ol

C₉H₁₂ClNOCAS 57908-21-1185.65 g/mol

Open in Covalent MOL file

Alcohol Aryl halide Primary amine

Properties

Molecular formula: C₉H₁₂ClNO
Molar mass: 185.65 g/mol
Exact mass: 185.0607 Da
logP: 1.72Crippen estimate
Polar surface area: 46.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

57908-21-1

SMILES

CC(C(C1=CC=C(C=C1)Cl)O)N

InChIKey

LTOCGMHUCZEAMG-UHFFFAOYSA-N

InChI

InChI=1S/C9H12ClNO/c1-6(11)9(12)7-2-4-8(10)5-3-7/h2-6,9,12H,11H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

4-Chloronorephedrine

Work with 2-Amino-1-(4-chlorophenyl)propan-1-ol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(+)-Phenylpropanolamine37577-28-963 % similar (-)-Phenylpropanolamine492-41-163 % similar Phenylpropanolamine hydrochloride154-41-658 % similar D-(-)-Norephedrine hydrochloride3198-15-058 % similar [S-(R*,S*)]-α-(1-Aminoethyl)benzyl alcohol hydrochloride40626-29-758 % similar (+)-1-(4-Chlorophenyl)ethylamine27298-99-352 % similar 1-(4-Chlorophenyl)ethanol3391-10-452 % similar (-)-1-(4-Chlorophenyl)ethylamine4187-56-852 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(N)Chroman-4-amine hydrochloride1035093-81-2 Ethyl benzimidate hydrochloride5333-86-8 2-(Chloromethyl)-4-methoxy-3,5-dimethylpyridine84006-10-0 (S)-3-(4-Chlorophenyl)-beta-alaninol886061-26-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook