chempirical

1-(4-Chlorophenyl)ethylamine

C8H10ClNCAS 6299-02-1155.63 g/mol

Open in Covalent MOL file
H2NCl
Aryl halidePrimary 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 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

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

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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

Similar compounds

(-)-1-(4-Methylphenyl)ethylamine27298-98-258 % similar (+)-1-(4-Methylphenyl)ethylamine4187-38-658 % similar (+)-Phenylethylamine3886-69-956 % similar 1-Phenylethylamine98-84-056 % similar 1-(4-Bromophenyl)ethylamine24358-62-156 % similar (αS)-4-Bromo-α-methylbenzenemethanamine27298-97-156 % similar (+)-1-(4-Fluorophenyl)ethylamine374898-01-856 % similar 1-(4-Fluorophenyl)ethylamine403-40-756 % 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 (+)-1-(4-Chlorophenyl)ethylamine27298-99-3 (-)-1-(4-Chlorophenyl)ethylamine4187-56-8 3-Chloro-4-methylbenzylamine67952-93-6

Elsewhere

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