1-(4-tert-butylphenyl)-N,N-dimethyl-methanamine; 1-phenylethanone

Systemtic Name: 1-(4-tert-butylphenyl)-N,N-dimethyl-methanamine; 1-phenylethanone Openeye Name: 1-(4-tert-butylphenyl)-N,N-dimethyl-methanamine; 1-phenylethanone CAS Name: 1-(4-tert-butylphenyl)-N,N-dimethylmethanamine; 1-phenylethanone IUPAC Name: 1-(4-tert-butylphenyl)-N,N-dimethylmethanamine; 1-phenylethanone Traditional Name: acetophenone; (4-tert-butylbenzyl)-dimethyl-amine Formula: C21H29NO MolecularWeight: 311.46106

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1.CC(C)(C)C1=CC=C(C=C1)CN(C)C

Isomeric SMILES

CC(=O)C1=CC=CC=C1.CC(C)(C)C1=CC=C(C=C1)CN(C)C

InChI

InChI=1S/C13H21N.C8H8O/c1-13(2,3)12-8-6-11(7-9-12)10-14(4)5;1-7(9)8-5-3-2-4-6-8/h6-9H,10H2,1-5H3;2-6H,1H3