CC1=CC(=CC(=C1)NC2=CC=C(C=C2)C#N)C
Name: 4-(3,5-dimethylanilino)benzonitrile
SMILES: CC1=CC(=CC(=C1)NC2=CC=C(C=C2)C#N)C

Molecular Processing

Molecular formula
C15H14N2
Molecular weight
222.29
Exact mass
222.1157
XLogP
3.92
TPSA
35.82
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.133
Molar refractivity
70.36

Supplementary Information

InChIKey: WKZKHQPHJDKGRC-UHFFFAOYSA-N
Synonyme
SCHEMBL5612584WKZKHQPHJDKGRC-UHFFFAOYSA-NAKOS005857069N-(3,5-Dimethylphenyl)-4-cyanoaniline
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