Molecule ID: 5484725

IUPAC Name: (2R,3S)-1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-(propan-2-ylamino)butan-2-ol

Description: The molecule is an indane substituted at position 7 by a methyl group and at position 4 by a 3-(isopropylamino)-2-hydroxybutoxy group (the 2R,3S-diastereomer). It has a role as a beta-adrenergic antagonist. It is a member of indanes, an aromatic ether, a secondary alcohol and a secondary amino compound.

SMILES: Cc1ccc(OC[C@H](O)[C@H](C)NC(C)C)c2c1CCC2

SELFIES: [C][C][=C][C][=C][Branch1][P][O][C][C@H1][Branch1][C][O][C@H1][Branch1][C][C][N][C][Branch1][C][C][C][C][=C][Ring1][S][C][C][C][Ring1][Branch1]

InChI: InChI=1S/C17H27NO2/c1-11(2)18-13(4)16(19)10-20-17-9-8-12(3)14-6-5-7-15(14)17/h8-9,11,13,16,18-19H,5-7,10H2,1-4H3/t13-,16-/m0/s1

Molecular Properties:
- Polar Surface Area: 41.5 Ų
- LogP: 3.3