2-((1R)-1-Aminoethyl)-4-chlorophenol

C₈H₁₀ClNOCAS 1228571-53-6171.62 g/mol

Open in Covalent MOL file

Aryl halide Phenol Primary amine

Properties

Molecular formula: C₈H₁₀ClNO
Molar mass: 171.62 g/mol
Exact mass: 171.0451 Da
logP: 2.07Crippen estimate
Polar surface area: 46.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

1228571-53-6

SMILES

C[C@H](C1=C(C=CC(=C1)Cl)O)N

InChIKey

IHDFZQZUBQSKDM-RXMQYKEDSA-N

InChI

InChI=1S/C8H10ClNO/c1-5(10)7-4-6(9)2-3-8(7)11/h2-5,11H,10H2,1H3/t5-/m1/s1

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Names and synonyms

1 names

(R)-2-(1-Aminoethyl)-4-chlorophenol

Work with 2-((1R)-1-Aminoethyl)-4-chlorophenol

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

(αR)-2,4-Dichloro-α-methylbenzenemethanamine133773-29-259 % similar 1-(2,4-Dichlorophenyl)ethylamine89981-75-959 % similar (+)-1-(4-Chlorophenyl)ethylamine27298-99-348 % similar (-)-1-(4-Chlorophenyl)ethylamine4187-56-848 % similar 1-(4-Chlorophenyl)ethylamine6299-02-148 % similar 4-Chlorocatechol2138-22-948 % similar 4-Chloro-2-methylphenol1570-64-547 % similar 2-Amino-4-chlorophenol95-85-247 % similar

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

Same formula

3-Chloro-4-methoxybenzenemethanamine115514-77-7 1-(2-Aminophenyl)ethanone hydrochloride25384-14-9 2-Aminoacetophenone hydrochloride5468-37-1 4-Chloro-2-methoxy-5-methylaniline6376-14-3 (βS)-β-Amino-3-chlorobenzeneethanol663611-73-2

Elsewhere

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