(βS)-β-Amino-3-chlorobenzeneethanol

C₈H₁₀ClNOCAS 663611-73-2171.62 g/mol

Open in Covalent MOL file

Alcohol Aryl halide Primary amine

Properties

Molecular formula: C₈H₁₀ClNO
Molar mass: 171.62 g/mol
Exact mass: 171.0451 Da
logP: 1.33Crippen estimate
Polar surface area: 46.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

663611-73-2

SMILES

N[C@H](CO)c1cccc(Cl)c1

InChIKey

HLXHAXFWWGYXQW-MRVPVSSYSA-N

InChI

InChI=1S/C8H10ClNO/c9-7-3-1-2-6(4-7)8(10)5-11/h1-4,8,11H,5,10H2/t8-/m1/s1

Weigh it out

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

Names and synonyms

5 names

Benzeneethanol, β-amino-3-chloro-, (βS)-
(S)-2-Amino-2-(3-chlorophenyl)ethanol
(S)-2-Amino-2-(3-chlorophenyl)ethan-1-ol
(2S)-2-Amino-2-(3-chlorophenyl)ethanol
(2S)-2-Amino-2-(3-chlorophenyl)ethan-1-ol

Work with (βS)-β-Amino-3-chlorobenzeneethanol

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

(+)-Phenylglycinol20989-17-760 % similar (-)-Phenylglycinol56613-80-060 % similar Phenylglycinol7568-92-560 % similar 3-Amino-3-(3-chlorophenyl)propanoic acid68208-21-958 % similar (1R)-1-(3-Chlorophenyl)ethanol120121-01-946 % similar 3-Chloro-α-methylbenzenemethanol6939-95-346 % similar 3-Chloromandelic acid16273-37-344 % similar 3-Chlorobenzyl alcohol873-63-241 % similar

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

Same formula

3-Chloro-4-methoxybenzenemethanamine115514-77-7 2-((1R)-1-Aminoethyl)-4-chlorophenol1228571-53-6 1-(2-Aminophenyl)ethanone hydrochloride25384-14-9 2-Aminoacetophenone hydrochloride5468-37-1 4-Chloro-2-methoxy-5-methylaniline6376-14-3

Elsewhere

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