3-[(3-Methylphenyl)amino]propanenitrile

C₁₀H₁₂N₂CAS 27618-25-3160.22 g/mol

Open in Covalent MOL file

Nitrile Secondary amine

Properties

Molecular formula: C₁₀H₁₂N₂
Molar mass: 160.22 g/mol
Exact mass: 160.1000 Da
Melting point: 47.5–48.5 °C
logP: 2.32Crippen estimate
Polar surface area: 35.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

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

27618-25-3

SMILES

Cc1cccc(NCCC#N)c1

InChIKey

VUUHXRVVDUAGOL-UHFFFAOYSA-N

InChI

InChI=1S/C10H12N2/c1-9-4-2-5-10(8-9)12-7-3-6-11/h2,4-5,8,12H,3,7H2,1H3

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Names and synonyms

4 names

Propanenitrile, 3-[(3-methylphenyl)amino]-
Propionitrile, 3-m-toluidino-
N-(β-Cyanoethyl)-m-toluidine
N-(2-Cyanoethyl)-3-methylaniline

Work with 3-[(3-Methylphenyl)amino]propanenitrile

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

3-(Phenylamino)propanenitrile1075-76-968 % similar N-Ethyl-m-toluidine102-27-254 % similar 3-Methyldiphenylamine1205-64-750 % similar (3-Methylphenyl)acetonitrile2947-60-649 % similar m,m'-Ditolylamine626-13-148 % similar 3-(Ethyl(3-methylphenyl)amino)propanenitrile148-69-647 % similar N,3-Dimethylaniline696-44-646 % similar 3-[(2-Hydroxyethyl)(3-methylphenyl)amino]propanenitrile119-95-944 % similar

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

Same formula

2-(4-Aminophenyl)-2-methylpropanenitrile115279-57-7 (R,S)-Anatabine2743-90-0 2,5,6-Trimethylbenzimidazole3363-56-2 2-Propyl-1H-benzimidazole5465-29-2 1-Ethyl-2-methyl-1H-benzimidazole5805-76-5 2-Isopropylbenzimidazole5851-43-4 Tolazoline59-98-3 Tryptamine61-54-1

Elsewhere

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