3-Chloro-N-methylaniline

C₇H₈ClNCAS 7006-52-2141.60 g/mol

Open in Covalent MOL file

Aryl halide Secondary amine

Properties

Molecular formula: C₇H₈ClN
Molar mass: 141.60 g/mol
Exact mass: 141.0345 Da
logP: 2.38Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

7006-52-2

SMILES

CNC1=CC(=CC=C1)Cl

InChIKey

WFGYSQDPURFIFL-UHFFFAOYSA-N

InChI

InChI=1S/C7H8ClN/c1-9-7-4-2-3-6(8)5-7/h2-5,9H,1H3

Weigh it out

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

Work with 3-Chloro-N-methylaniline

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

4-Chloro-N-methylbenzenamine932-96-756 % similar 3-Chlorodiphenylamine101-17-756 % similar 3-Fluoro-N-methylaniline1978-37-656 % similar N,3-Dimethylaniline696-44-656 % similar 3-Bromo-N-methylbenzenamine66584-32-554 % similar 3-Chlorophenylhydrazine hydrochloride2312-23-452 % similar N-Methylaniline100-61-850 % similar 3,4-Dichloro-N-methylaniline40750-59-250 % similar

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

Same formula

4-Chlorobenzylamine104-86-9 3-Chloro-5-methylbenzenamine29027-20-1 2-Chloro-4,6-dimethylpyridine30838-93-8 4-Chloro-2,6-dimethylpyridine3512-75-2 3-Chlorobenzylamine4152-90-3 2-Chloro-4-methylaniline615-65-6 4-Chloro-3-methylaniline7149-75-9 3-Chloro-2-methylaniline87-60-5

Elsewhere

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