1-Methyl-3-phenylpropylamine | SBID = 203 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 26.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 2.0 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 1.0 | ||
| Number of H-Bond Acceptors: | 1.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 1.0 | ||
| 3D Volume/Å3: | 130.9 | ||
| Sum Formula: | C10H15N | ||
| M / g/mol: | 149.237 | ||
| Complexity: | 95.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags:
- Name: 1-Methyl-3-phenylpropylamine
- Preferred Abbreviation: 1-Methyl-3-phenylpropylamine
- IUPAC Name: 4-phenylbutan-2-amine
- CAS: 22374-89-6
- CID: 31160
- InChiKey: WECUIGDEWBNQJJ-UHFFFAOYSA-N
- InChi: InChI=1S/C10H15N/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6,9H,7-8,11H2,1H3
- CanoSmiles: CC(CCC1=CC=CC=C1)N
- IsoSmiles: CC(CCC1=CC=CC=C1)N
