1WE
Summary
| Name: | (2S)-1-phenylpropan-2-amine |
| Synonyms: | Dextroamphetamine D-amphetamine; Dexamphetamine; Dexedrine; Dextrostat |
| Formula: | C9 H13 N |
| Formal charge: | 0 |
| Formula weight: | 135.206 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-1-phenylpropan-2-amine |
| OpenEye OEToolkits | 1.7.6 | (2S)-1-phenylpropan-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC(Cc1ccccc1)C |
| InChI | InChI | 1.03 | InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | KWTSXDURSIMDCE-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](N)Cc1ccccc1 |
| SMILES | CACTVS | 3.385 | C[CH](N)Cc1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@@H](Cc1ccccc1)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(Cc1ccccc1)N |
