Molecule ID: 67425

IUPAC Name: 2-[2,3-bis[2-(diethylamino)ethoxy]phenoxy]-N,N-diethylethanamine

Description: The molecule is a tertiary amine non-depolarising muscle relaxant whose structure comprises a core benzene molecule substituted at each of C-1, C-2 and C-3 by an N,N-diethyl-2-(ethylamino)ethoxy group. It has a role as a muscle relaxant, a cholinergic antagonist and a drug allergen.

SMILES: CCN(CC)CCOc1cccc(OCCN(CC)CC)c1OCCN(CC)CC

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

InChI: InChI=1S/C24H45N3O3/c1-7-25(8-2)16-19-28-22-14-13-15-23(29-20-17-26(9-3)10-4)24(22)30-21-18-27(11-5)12-6/h13-15H,7-12,16-21H2,1-6H3

Molecular Properties:
- Polar Surface Area: 37.4 Ų
- LogP: 4.1