1WF
Summary
| Name: | 4-[(2S)-2-(methylamino)propyl]phenol |
| Synonyms: | 4-Hydroxymethamphetamine |
| Formula: | C10 H15 N O |
| Formal charge: | 0 |
| Formula weight: | 165.232 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-[(2S)-2-(methylamino)propyl]phenol |
| OpenEye OEToolkits | 1.7.6 | 4-[(2S)-2-(methylamino)propyl]phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Oc1ccc(cc1)CC(NC)C |
| InChI | InChI | 1.03 | InChI=1S/C10H15NO/c1-8(11-2)7-9-3-5-10(12)6-4-9/h3-6,8,11-12H,7H2,1-2H3/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | SBUQZKJEOOQSBV-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN[C@@H](C)Cc1ccc(O)cc1 |
| SMILES | CACTVS | 3.385 | CN[CH](C)Cc1ccc(O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@@H](Cc1ccc(cc1)O)NC |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(Cc1ccc(cc1)O)NC |
