chempirical

2-Chloro-N-methylbenzenemethanamine

C8H10ClNCAS 94-64-4155.62 g/mol

Open in Covalent MOL file
NHCl
Aryl halideSecondary amine

Properties

Molecular formula
C8H10ClN
Molar mass
155.62 g/mol
Exact mass
155.0502 Da
Boiling point
83–84 °C (at 2 Torr)
logP
2.06Crippen estimate
Polar surface area
12.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
94-64-4
SMILES
CNCc1ccccc1Cl
InChIKey
DIWGZVQKFSFNLH-UHFFFAOYSA-N
InChI
InChI=1S/C8H10ClN/c1-10-6-7-4-2-3-5-8(7)9/h2-5,10H,6H2,1H3

Weigh it out

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

Names and synonyms

12 names
  • Benzenemethanamine, 2-chloro-N-methyl-
  • Benzylamine, o-chloro-N-methyl-
  • o-Chloro-N-methylbenzylamine
  • 2-Chloro-N-methylbenzylamine
  • N-Methyl-o-chlorobenzylamine
  • Methyl((2-chlorophenyl)methyl)amine
  • (2-Chlorobenzyl)methylamine
  • N-2-Chlorobenzylmethylamine
  • 1-(2-Chlorophenyl)-N-methylmethanamine
  • N-Methyl-2-chlorobenzylamine
  • N-(2-Chlorobenzyl)-N-methylamine
  • [(2-Chlorophenyl)methyl](methyl)amine

Work with 2-Chloro-N-methylbenzenemethanamine

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

(2,4-Dichlorobenzyl)methylamine5013-77-463 % similar (2,4-Dichlorobenzyl)methylamine hydrochloride90389-07-458 % similar N-Methyl-1-naphthalenemethanamine14489-75-957 % similar (2-Bromobenzyl)methylamine698-19-155 % similar 1-Chloro-2-ethylbenzene89-96-354 % similar 2-Fluoro-N-methylbenzylamine399-30-453 % similar N-Methyl-N-naphthylmethylamine hydrochloride65473-13-452 % similar 2-Chlorobenzyl chloride611-19-850 % 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 (+)-1-(4-Chlorophenyl)ethylamine27298-99-3

Elsewhere

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