VH9
Summary
| Name: | (1R)-1-(4-fluorophenyl)-2-[(propan-2-yl)amino]ethan-1-ol |
| Formula: | C11 H16 F N O |
| Formal charge: | 0 |
| Formula weight: | 197.249 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1R)-1-(4-fluorophenyl)-2-[(propan-2-yl)amino]ethan-1-ol |
| OpenEye OEToolkits | 2.0.7 | (1~{R})-1-(4-fluorophenyl)-2-(propan-2-ylamino)ethanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(CNC(C)C)c1ccc(F)cc1 |
| InChI | InChI | 1.06 | InChI=1S/C11H16FNO/c1-8(2)13-7-11(14)9-3-5-10(12)6-4-9/h3-6,8,11,13-14H,7H2,1-2H3/t11-/m0/s1 |
| InChIKey | InChI | 1.06 | ICFWAKHBPUVWHZ-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)NC[C@H](O)c1ccc(F)cc1 |
| SMILES | CACTVS | 3.385 | CC(C)NC[CH](O)c1ccc(F)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)NC[C@@H](c1ccc(cc1)F)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)NCC(c1ccc(cc1)F)O |
