1-phenylethanamine | SBID = 2679 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 26.0 | ||
| Ertl TPSA/Å2: | 26.02 | ||
| Hydrophilicity (PubChem XLogP): | 1.2 | ||
| Hydrophilicity (Cheng XLogP3): | 1.16 | ||
| 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: | 105.7 | ||
| Sum Formula: | C8H11N | ||
| M / g/mol: | 121.18 | ||
| Complexity: | 74.0 | ||
| Number of Conformers: | 2.0 |
Identifiers
- Tags:
- Name: 1-phenylethanamine
- Preferred Abbreviation: 1-Phenylethanamine
- IUPAC Name: 1-phenylethanamine
- CAS:
- CID: 7408
- InChiKey: RQEUFEKYXDPUSK-UHFFFAOYSA-N
- InChi: InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3
- CanoSmiles: CC(C1=CC=CC=C1)N
- IsoSmiles: CC(C1=CC=CC=C1)N
