chempirical

N-(2-Chloroethyl)-N-ethyl-3-methylbenzenamine

C11H16ClNCAS 22564-43-8197.71 g/mol

Open in Covalent MOL file
NCl
Alkyl halideTertiary amine

Properties

Molecular formula
C11H16ClN
Molar mass
197.71 g/mol
Exact mass
197.0971 Da
Boiling point
143–144 °C (at NaN Torr)
logP
3.06Crippen estimate
Polar surface area
3.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
4

Identifiers

CAS number
22564-43-8
SMILES
CCN(CCCl)c1cccc(C)c1
InChIKey
DLRPOOIAFCOLII-UHFFFAOYSA-N
InChI
InChI=1S/C11H16ClN/c1-3-13(8-7-12)11-6-4-5-10(2)9-11/h4-6,9H,3,7-8H2,1-2H3

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Names and synonyms

9 names
  • Benzenamine, N-(2-chloroethyl)-N-ethyl-3-methyl-
  • m-Toluidine, N-(2-chloroethyl)-N-ethyl-
  • N-Chloroethyl-N-ethyl-m-toluidine
  • N-Ethyl-N-β-chloroethyl-m-toluidine
  • 1-[N-Ethyl-N-(β-chloroethyl)amino]-3-methylbenzene
  • N-(2-Chloroethyl)-N-ethyl-m-toluidine
  • N-Ethyl-N-(2-chloroethyl)-m-toluidine
  • N-(2-Chloroethyl)-N-ethyl-N-toluidine
  • N-(2-Chloroethyl)-N-ethyl-3-methylaniline

Work with N-(2-Chloroethyl)-N-ethyl-3-methylbenzenamine

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

N,N-Diethyl-M-toluidine91-67-874 % similar 3-Methyl-N-ethyl-N-(β-hydroxyethyl)aniline91-88-369 % similar N-Ethyl-N-(2-chloroethyl)aniline92-49-969 % similar 3-[Ethyl(3-methylphenyl)amino]propanenitrile148-69-666 % similar N-Ethyl-N-(3-methylphenyl)benzenemethanamine119-94-862 % similar 1-(3-Methylphenyl)piperazine41186-03-254 % similar M-Tolyldiethanolamine91-99-654 % similar Dimethyl-M-toluidine121-72-250 % similar

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

Same formula

4-Phenylpiperidine hydrochloride10272-49-8

Elsewhere

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