chempirical

N-Phenyl-2-pyridinemethanamine

C12H12N2CAS 4329-81-1184.24 g/mol

Open in Covalent MOL file
NHN
Secondary amine

Properties

Molecular formula
C12H12N2
Molar mass
184.24 g/mol
Exact mass
184.1000 Da
Melting point
50–53 °C
Boiling point
155–156 °C (at 4 Torr)
logP
2.69Crippen estimate
Polar surface area
24.9 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Identifiers

CAS number
4329-81-1
SMILES
c1ccc(NCc2ccccn2)cc1
InChIKey
FTCFXBBBKDOQJA-UHFFFAOYSA-N
InChI
InChI=1S/C12H12N2/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13-12/h1-9,14H,10H2

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Names and synonyms

6 names
  • 2-Pyridinemethanamine, N-phenyl-
  • Pyridine, 2-(anilinomethyl)-
  • 2-(Anilinomethyl)pyridine
  • N-(2-Pyridylmethyl)phenylamine
  • N-((Pyridin-2-yl)methyl)aniline
  • N-(2-Pyridylmethyl)aniline

Work with N-Phenyl-2-pyridinemethanamine

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

Dipicolylamine1539-42-063 % similar Benzylaniline103-32-250 % similar 2-(Benzylamino)pyridine6935-27-950 % similar 2-(3-Phenylpropyl)pyridine2110-18-148 % similar 2-Ethylpyridine100-71-047 % similar 2-Pyridinemethanethiol2044-73-747 % similar 2-Picolylamine3731-51-947 % similar 2-Chloromethylpyridine4377-33-747 % similar

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

Same formula

4-Aminodiphenylamine101-54-2 4,4′-Dimethyl-2,2′-bipyridine1134-35-6 Hydrazobenzene122-66-7 5,5′-Dimethyl-2,2′-bipyridine1762-34-1 4-tert-Butylphthalonitrile32703-80-3 6,6′-Dimethyl-2,2′-bipyridine4411-80-7 1,2-Bis(4-pyridyl)ethane4916-57-8 N,N-Diphenylhydrazine530-50-7

Elsewhere

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