Molecule ID: 444

IUPAC Name: 2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one

Description: The molecule is an aromatic ketone that is propiophenone carrying a tert-butylamino group at position 2 and a chloro substituent at position 3 on the phenyl ring. It has a role as an antidepressant, an environmental contaminant and a xenobiotic. It is a secondary amino compound, a member of monochlorobenzenes and an aromatic ketone.

SMILES: CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1

SELFIES: [C][C][Branch1][#Branch2][N][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1]

InChI: InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3

Molecular Properties:
- Polar Surface Area: 29.1 Ų
- LogP: 3.2