V03
Summary
| Name: | (3S)-3-amino-3-(4-methoxyphenyl)propan-1-ol |
| Formula: | C10 H15 N O2 |
| Formal charge: | 0 |
| Formula weight: | 181.232 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S)-3-amino-3-(4-methoxyphenyl)propan-1-ol |
| OpenEye OEToolkits | 2.0.7 | (3~{S})-3-azanyl-3-(4-methoxyphenyl)propan-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | COc1ccc(cc1)C(N)CCO |
| InChI | InChI | 1.06 | InChI=1S/C10H15NO2/c1-13-9-4-2-8(3-5-9)10(11)6-7-12/h2-5,10,12H,6-7,11H2,1H3/t10-/m0/s1 |
| InChIKey | InChI | 1.06 | WHWMCHUIUINGOD-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)[C@@H](N)CCO |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1)[CH](N)CCO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)[C@H](CCO)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)C(CCO)N |
