AFW
Summary
| Name: | [3-chloranyl-4-[2-methoxy-5-(trifluoromethyl)phenyl]phenyl]methanamine |
| Formula: | C15 H13 Cl F3 N O |
| Formal charge: | 0 |
| Formula weight: | 315.718 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | [3-chloranyl-4-[2-methoxy-5-(trifluoromethyl)phenyl]phenyl]methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H13ClF3NO/c1-21-14-5-3-10(15(17,18)19)7-12(14)11-4-2-9(8-20)6-13(11)16/h2-7H,8,20H2,1H3 |
| InChIKey | InChI | 1.03 | VOTNOJWYNLDIBK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1c2ccc(CN)cc2Cl)C(F)(F)F |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1c2ccc(CN)cc2Cl)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1ccc(cc1c2ccc(cc2Cl)CN)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | COc1ccc(cc1c2ccc(cc2Cl)CN)C(F)(F)F |
