1-(4-Chlorophenyl)ethylamine

C₈H₁₀ClNCAS 6299-02-1155.63 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₈H₁₀ClN
Molar mass: 155.63 g/mol
Exact mass: 155.0502 Da
Density: 1.1178 g/mL (at 20 °C)
Melting point: 140–141 °C
Boiling point: 105 °C (at 10 Torr)
logP: 2.36Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage95.2% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501

Identifiers

CAS number

6299-02-1

SMILES

CC(N)c1ccc(Cl)cc1

InChIKey

PINPOEWMCLFRRB-UHFFFAOYSA-N

InChI

InChI=1S/C8H10ClN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3

Weigh it out

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

Names and synonyms

14 names · show all

Benzenemethanamine, 4-chloro-α-methyl-
Benzylamine, p-chloro-α-methyl-
4-Chloro-α-methylbenzenemethanamine
p-Chloro-α-methylbenzylamine
4-Chloro-α-methylbenzylamine
1-(p-Chlorophenyl)ethylamine
(±)-4-Chloro-α-methylbenzenemethanamine
(±)-α-(p-Chlorophenyl)ethylamine
(±)-1-(4-Chlorophenyl)ethylamine
α-(p-Chlorophenyl)ethylamine
α-Methyl-4-chlorobenzenemethanamine
NSC 42452
1-(4-Chlorophenyl)ethanamine
(RS)-1-(p-chlorophenyl)ethylamine

Work with 1-(4-Chlorophenyl)ethylamine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(-)-1-(4-Chlorophenyl)ethylamine4187-56-8Defined stereoisomer (+)-1-(4-Chlorophenyl)ethylamine27298-99-3Defined stereoisomer

Similar compounds

(-)-1-(4-Methylphenyl)ethylamine27298-98-258 % similar (+)-1-(4-Methylphenyl)ethylamine4187-38-658 % similar (S)-α-Phenethylamine2627-86-356 % similar (R)-α-Phenethylamine3886-69-956 % similar 1-Phenethylamine618-36-056 % similar 1-Phenylethylamine98-84-056 % similar 1-(4-Bromophenyl)ethylamine24358-62-156 % similar (αS)-4-Bromo-α-methylbenzenemethanamine27298-97-156 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Chloro-N-methylbenzenemethanamine104-11-0 2-(3-Chlorophenyl)ethylamine13078-79-0 2-(2-Chlorophenyl)ethylamine13078-80-3 4-Chloro-N-ethylbenzenamine13519-75-0 2-(4-Chlorophenyl)ethylamine156-41-2 4-Chloro-2,6-dimethylaniline24596-18-7 3-Chloro-2,6-dimethylaniline26829-77-6

Elsewhere

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