(2S)-2-(2-methylphenyl)-2-(2-methylpropylamino)ethanenitrile

Systemtic Name: (2S)-2-(2-methylphenyl)-2-(2-methylpropylamino)ethanenitrile Openeye Name: (2S)-2-(isobutylamino)-2-(o-tolyl)acetonitrile CAS Name: (2S)-2-(2-methylphenyl)-2-(2-methylpropylamino)acetonitrile IUPAC Name: (2S)-2-(2-methylphenyl)-2-(2-methylpropylamino)acetonitrile Traditional Name: (2S)-2-(isobutylamino)-2-(o-tolyl)acetonitrile Formula: C13H18N2 MolecularWeight: 202.29542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C#N)NCC(C)C

Isomeric SMILES

CC1=CC=CC=C1[C@@H](C#N)NCC(C)C

InChI

InChI=1S/C13H18N2/c1-10(2)9-15-13(8-14)12-7-5-4-6-11(12)3/h4-7,10,13,15H,9H2,1-3H3/t13-/m1/s1