(+)-(1S,2S)-2-Methylamino-1-phenyl-propan-1-ol | SBID = 319 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 32.3 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 0.9 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 2.0 | ||
| Number of H-Bond Acceptors: | 2.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 2.0 | ||
| 3D Volume/Å3: | 138.7 | ||
| Sum Formula: | C10H15NO | ||
| M / g/mol: | 165.236 | ||
| Complexity: | 121.0 | ||
| Number of Conformers: | 7.0 |
Identifiers
- Tags: aromatic, drug, typical guest
- Name: (+)-(1S,2S)-2-Methylamino-1-phenyl-propan-1-ol
- Preferred Abbreviation: (+)-Pseudoephedrine
- IUPAC Name: (1S,2S)-2-(methylamino)-1-phenylpropan-1-ol
- CAS: 90-82-4
- CID: 7028
- InChiKey: KWGRBVOPPLSCSI-WCBMZHEXSA-N
- InChi: InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10+/m0/s1
- CanoSmiles: CC(C(C1=CC=CC=C1)O)NC
- IsoSmiles: C[C@@H]([C@H](C1=CC=CC=C1)O)NC
