1-(O-Allylphenoxy)-3-(isopropylamino)-2-propanol | SBID = 759 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 41.5 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 3.1 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 2.0 | ||
| 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: | 210.4 | ||
| Sum Formula: | C15H23NO2 | ||
| M / g/mol: | 249.35 | ||
| Complexity: | 231.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: aromatic, drug, typical guest
- Name: 1-(O-Allylphenoxy)-3-(isopropylamino)-2-propanol
- Preferred Abbreviation: Alprenolol
- IUPAC Name: 1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol
- CAS: 13655-52-2
- CID: 2119
- InChiKey: PAZJSJFMUHDSTF-UHFFFAOYSA-N
- InChi: InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3
- CanoSmiles: CC(C)NCC(COC1=CC=CC=C1CC=C)O
- IsoSmiles: CC(C)NCC(COC1=CC=CC=C1CC=C)O
