1-(4-tert-butylphenyl)-N-methyl-methanamine; 1-phenylethanone; hydrochloride

Systemtic Name: 1-(4-tert-butylphenyl)-N-methyl-methanamine; 1-phenylethanone; hydrochloride Openeye Name: 1-(4-tert-butylphenyl)-N-methyl-methanamine; 1-phenylethanone; hydrochloride CAS Name: 1-(4-tert-butylphenyl)-N-methylmethanamine; 1-phenylethanone; hydrochloride IUPAC Name: 1-(4-tert-butylphenyl)-N-methylmethanamine; 1-phenylethanone; hydrochloride Traditional Name: acetophenone; (4-tert-butylbenzyl)-methyl-amine; hydrochloride Formula: C20H28ClNO MolecularWeight: 333.89542

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1.CC(C)(C)C1=CC=C(C=C1)CNC.Cl

Isomeric SMILES

CC(=O)C1=CC=CC=C1.CC(C)(C)C1=CC=C(C=C1)CNC.Cl

InChI

InChI=1S/C12H19N.C8H8O.ClH/c1-12(2,3)11-7-5-10(6-8-11)9-13-4;1-7(9)8-5-3-2-4-6-8;/h5-8,13H,9H2,1-4H3;2-6H,1H3;1H