chempirical

2-(3-Chlorophenyl)ethylamine

C8H10ClNCAS 13078-79-0155.62 g/mol

Open in Covalent MOL file
ClNH2
Aryl halidePrimary amine

Properties

Molecular formula
C8H10ClN
Molar mass
155.62 g/mol
Exact mass
155.0502 Da
logP
1.84Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
13078-79-0
SMILES
C1=CC(=CC(=C1)Cl)CCN
InChIKey
NRHVNPYOTNGECT-UHFFFAOYSA-N
InChI
InChI=1S/C8H10ClN/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6H,4-5,10H2

Weigh it out

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

Names and synonyms

1 names
  • 3-Chlorophenethylamine

Work with 2-(3-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

3-Chlorobenzylamine4152-90-363 % similar 2-(3-Chlorophenyl)ethanol5182-44-559 % similar Meta-tyramine588-05-657 % similar 3-Chlorobenzyl chloride620-20-254 % similar 3-Chlorobenzyl bromide766-80-352 % similar 3-Chlorobenzyl alcohol873-63-252 % similar 3-Methoxyphenethylamine2039-67-052 % similar 2-(3-Trifluoromethylphenyl)ethylamine52516-30-052 % similar

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

Same formula

4-Chloro-N-methylbenzenemethanamine104-11-0 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 1-(4-Chlorophenyl)ethylamine6299-02-1 3-Chloro-4-methylbenzylamine67952-93-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook