Molecule ID: 71751093

IUPAC Name: 1-(4-methoxyphenyl)-2-[4-(4-nitrophenyl)butan-2-ylamino]ethanol

Description: The molecule is a member of the class of phenylethanolamines that is phenylethanolamine in which the the phenyl group is substituted at the para- position by a methoxy group, while the am no group is substituted by a 4-(p-nitrophenyl)butan-2-yl group. A beta-adrenergic agonist that has been used illegally in China as an animal feed additive to as a growth promotion to enhance the the lean meat-to-fat ratio for livestock. It has a role as a beta-adrenergic agonist and an animal growth promotant. It is a member of phenylethanolamines, a C-nitro compound, a secondary amino compound, a secondary alcohol and an aromatic ether.

SMILES: COc1ccc(C(O)CNC(C)CCc2ccc([N+](=O)[O-])cc2)cc1

SELFIES: [C][O][C][=C][C][=C][Branch2][Ring1][N][C][Branch1][C][O][C][N][C][Branch1][C][C][C][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][#Branch1]

InChI: InChI=1S/C19H24N2O4/c1-14(3-4-15-5-9-17(10-6-15)21(23)24)20-13-19(22)16-7-11-18(25-2)12-8-16/h5-12,14,19-20,22H,3-4,13H2,1-2H3

Molecular Properties:
- Polar Surface Area: 87.3 Ų
- LogP: 3.2