Molecule ID: 25104

IUPAC Name: 4-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,2-diol

Description: The molecule is a member of the class of ethanolamines that is catechol in which the hydrogen at position 4 is replaced by a 2-(tert-butylamino)-1-hydroxyethyl group. It has a role as a beta-adrenergic agonist, an anti-asthmatic drug and a bronchodilator agent. It is a member of catechols, a secondary amino compound, a secondary alcohol, a triol and a member of ethanolamines.

SMILES: CC(C)(C)NCC(O)c1ccc(O)c(O)c1

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

InChI: InChI=1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-5-9(14)10(15)6-8/h4-6,11,13-16H,7H2,1-3H3

Molecular Properties:
- Polar Surface Area: 72.7 Ų
- LogP: -0.4