W93
Summary
| Name: | (2R)-2-amino-2-(3-methoxyphenyl)ethan-1-ol |
| Formula: | C9 H13 N O2 |
| Formal charge: | 0 |
| Formula weight: | 167.205 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-2-amino-2-(3-methoxyphenyl)ethan-1-ol |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-2-azanyl-2-(3-methoxyphenyl)ethanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | COc1cc(ccc1)C(N)CO |
| InChI | InChI | 1.06 | InChI=1S/C9H13NO2/c1-12-8-4-2-3-7(5-8)9(10)6-11/h2-5,9,11H,6,10H2,1H3/t9-/m0/s1 |
| InChIKey | InChI | 1.06 | HAHLSZOSVFWLMM-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc(c1)[C@@H](N)CO |
| SMILES | CACTVS | 3.385 | COc1cccc(c1)[CH](N)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cccc(c1)[C@H](CO)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1cccc(c1)C(CO)N |
