chempirical

2,6-Dichloro-N-phenylbenzenamine

C12H9Cl2NCAS 15307-93-4238.11 g/mol

Open in Covalent MOL file
ClClNH
Aryl halideSecondary amine

Properties

Molecular formula
C12H9Cl2N
Molar mass
238.11 g/mol
Exact mass
237.0112 Da
Melting point
48–50 °C
Boiling point
115 °C (at 0.01 Torr)
logP
4.74Crippen estimate
Polar surface area
12.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
15307-93-4
SMILES
Clc1cccc(Cl)c1Nc1ccccc1
InChIKey
HDUUZPLYVVQTKN-UHFFFAOYSA-N
InChI
InChI=1S/C12H9Cl2N/c13-10-7-4-8-11(14)12(10)15-9-5-2-1-3-6-9/h1-8,15H

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Names and synonyms

8 names
  • Benzenamine, 2,6-dichloro-N-phenyl-
  • Diphenylamine, 2,6-dichloro-
  • 2,6-Dichlorodiphenylamine
  • N-(2,6-Dichlorophenyl)aniline
  • N-Phenyl-2,6-dichloroaniline
  • N-(2,6-Dichlorophenyl)-N-phenylamine
  • Decarboxymethyl diclofenac
  • 2,6-Dichloro-N-phenylaniline

Work with 2,6-Dichloro-N-phenylbenzenamine

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

Diphenylamine122-39-452 % similar 3-Chlorodiphenylamine101-17-752 % similar 4-Chloro-N-phenylaniline1205-71-650 % similar N,N′-Diphenyl-P-phenylenediamine74-31-750 % similar 1,2-Dichlorobenzene95-50-148 % similar 3-Methyldiphenylamine1205-64-746 % similar Diphenylammonium chloride537-67-746 % similar 3-Hydroxydiphenylamine101-18-845 % similar

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

Elsewhere

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