chempirical

3-Chloro-4-methylbenzylamine

C8H10ClNCAS 67952-93-6155.63 g/mol

Open in Covalent MOL file
NH2Cl
Aryl halidePrimary amine

Properties

Molecular formula
C8H10ClN
Molar mass
155.63 g/mol
Exact mass
155.0502 Da
logP
2.11Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
67952-93-6
SMILES
Cc1ccc(CN)cc1Cl
InChIKey
MXIGALIASISPNU-UHFFFAOYSA-N
InChI
InChI=1S/C8H10ClN/c1-6-2-3-7(5-10)4-8(6)9/h2-4H,5,10H2,1H3

Weigh it out

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

Names and synonyms

4 names
  • Benzenemethanamine, 3-chloro-4-methyl-
  • 3-Chloro-4-methylbenzenemethanamine
  • [(3-Chloro-4-methylphenyl)methyl]amine
  • (3-Chloro-4-methylphenyl)methanamine

Work with 3-Chloro-4-methylbenzylamine

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

3,4-Dimethylbenzenemethanamine102-48-764 % similar 3,4-Dichlorobenzenemethanamine102-49-864 % similar 2-Chloro-4-(chloromethyl)-1-methylbenzene2719-40-663 % similar 3-Fluoro-4-methylbenzenemethanamine261951-67-156 % similar 3-Chloro-4-methoxybenzenemethanamine115514-77-756 % similar Chloro-P-xylene95-72-752 % similar 3-Chloro-4-methylaniline95-74-952 % similar 3-Chloro-4-methoxybenzylamine hydrochloride41965-95-151 % 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 1-(4-Chlorophenyl)ethylamine6299-02-1

Elsewhere

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