Doxylamine | SBID = 304 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 25.4 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 2.5 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 3.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 1.0 | ||
| 3D Volume/Å3: | 223.4 | ||
| Sum Formula: | C17H22N2O | ||
| M / g/mol: | 270.376 | ||
| Complexity: | 276.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: drug
- Name: Doxylamine
- Preferred Abbreviation: Doxylamine
- IUPAC Name: N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine
- CAS: 469-21-6
- CID: 3162
- InChiKey: HCFDWZZGGLSKEP-UHFFFAOYSA-N
- InChi: InChI=1S/C17H22N2O/c1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16/h4-12H,13-14H2,1-3H3
- CanoSmiles: CC(C1=CC=CC=C1)(C2=CC=CC=N2)OCCN(C)C
- IsoSmiles: CC(C1=CC=CC=C1)(C2=CC=CC=N2)OCCN(C)C
