2-(4-Aminophenyl)-2-methylpropanenitrile

C₁₀H₁₂N₂CAS 115279-57-7160.22 g/mol

Open in Covalent MOL file

Nitrile Primary amine

Properties

Molecular formula: C₁₀H₁₂N₂
Molar mass: 160.22 g/mol
Exact mass: 160.1000 Da
logP: 2.07Crippen estimate
Polar surface area: 49.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Identifiers

CAS number

115279-57-7

SMILES

CC(C)(C#N)C1=CC=C(C=C1)N

InChIKey

VXDPOGVDHHJTDY-UHFFFAOYSA-N

InChI

InChI=1S/C10H12N2/c1-10(2,7-11)8-3-5-9(12)6-4-8/h3-6H,12H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 2-(4-Aminophenyl)-2-methylpropanenitrile

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

2-(4-Bromophenyl)-2-methylpropanenitrile101184-73-060 % similar 4-tert-Butylaniline769-92-656 % similar 3,5-Bis(2-cyanoprop-2-yl)toluene120511-72-047 % similar 4,4′,4′′,4′′′-Methanetetrayltetrakis[benzenamine]60532-63-044 % similar 5-(Bromomethyl)-α1,α1,α3,α3-tetramethyl-1,3-benzenediacetonitrile120511-84-442 % similar 2,2-Bis[4-(4-aminophenoxy)phenyl]propane13080-86-941 % similar 4-(Trifluoromethyl)aniline455-14-140 % similar 4-Aminobenzonitrile873-74-540 % similar

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

Same formula

3-[(3-Methylphenyl)amino]propanenitrile27618-25-3 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 N-(2-Cyanoethyl)-N-methylaniline94-34-8

Elsewhere

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