3-[Ethyl(4-formyl-3-methylphenyl)amino]propanenitrile

C₁₃H₁₆N₂OCAS 119-97-1216.28 g/mol

Open in Covalent MOL file

Aldehyde Nitrile Tertiary amine

Properties

Molecular formula: C₁₃H₁₆N₂O
Molar mass: 216.28 g/mol
Exact mass: 216.1263 Da
Melting point: 60–61 °C
logP: 2.55Crippen estimate
Polar surface area: 44.1 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 5

Identifiers

CAS number

119-97-1

SMILES

CCN(CCC#N)c1ccc(C=O)c(C)c1

InChIKey

VTXVKMVZEXXUIC-UHFFFAOYSA-N

InChI

InChI=1S/C13H16N2O/c1-3-15(8-4-7-14)13-6-5-12(10-16)11(2)9-13/h5-6,9-10H,3-4,8H2,1-2H3

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Names and synonyms

4 names

Propanenitrile, 3-[ethyl(4-formyl-3-methylphenyl)amino]-
Propionitrile, 3-(N-ethyl-4-formyl-m-toluidino)-
o-Tolualdehyde, 4-[(2-cyanoethyl)ethylamino]-
2-Methyl-N-ethyl-N-(2-cyanoethyl)-4-aminobenzaldehyde

Work with 3-[Ethyl(4-formyl-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

4-(Diethylamino)-2-methylbenzaldehyde92-14-873 % similar 4-[Ethyl(2-hydroxyethyl)amino]-2-methylbenzaldehyde21850-52-269 % similar 3-[Ethyl(3-methylphenyl)amino]propanenitrile148-69-653 % similar 3-(Ethylphenylamino)propanenitrile148-87-851 % similar 4-(Diethylamino)-2-hydroxybenzaldehyde17754-90-450 % similar 3-[(4-Formylphenyl)methylamino]propanenitrile94-21-345 % similar 2,4-Dimethylbenzaldehyde15764-16-644 % similar Disperse orange 2531482-56-142 % similar

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

Same formula

2-(4-Methylpiperidin-4-yl)benzo[D]oxazole1341609-27-5 4-Hydroxy-1-(phenylmethyl)-4-piperidinecarbonitrile6094-60-6

Elsewhere

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