Molecule ID: 443745

IUPAC Name: 2-[(6S)-6-(3,4-dimethoxyphenyl)-7,8-dihydro-5H-quinolin-6-yl]-N-methylethanamine

Description: The molecule is 5,6,7,8-Tetrahydroquinoline in whith the hydrogens at position 6 are substituted by a 3-azabutyl group and a 3,4-dimethoxyphenyl group. (S configuration). It is found in the herb kanna (Sceletium tortuosum). It has a role as a plant metabolite.

SMILES: CNCC[C@]1(c2ccc(OC)c(OC)c2)CCc2ncccc2C1

SELFIES: [C][N][C][C][C@][Branch1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][C][C][=N][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring2]

InChI: InChI=1S/C20H26N2O2/c1-21-12-10-20(9-8-17-15(14-20)5-4-11-22-17)16-6-7-18(23-2)19(13-16)24-3/h4-7,11,13,21H,8-10,12,14H2,1-3H3/t20-/m1/s1

Molecular Properties:
- Polar Surface Area: 43.4 Ų
- LogP: 3.2