2-Phenylethylamine | SBID = 44 | Compound |
Structure
Molecular Properties
| Interactions: | 7 | ||
| PubChem TPSA/Å2: | 26.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 1.4 | ||
| 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): | 0.0 | ||
| 3D Volume/Å3: | 104.9 | ||
| Sum Formula: | C8H11N | ||
| M / g/mol: | 121.183 | ||
| Complexity: | 65.0 | ||
| Number of Conformers: | 3.0 |
Identifiers
- Tags: aromatic, typical guest
- Name: 2-Phenylethylamine
- Preferred Abbreviation: 2-Phenethylamine
- IUPAC Name: 2-phenylethanamine
- CAS: 64-04-0
- CID: 1001
- InChiKey: BHHGXPLMPWCGHP-UHFFFAOYSA-N
- InChi: InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2
- CanoSmiles: C1=CC=C(C=C1)CCN
- IsoSmiles: C1=CC=C(C=C1)CCN
