A1AM5
Summary
| Name: | N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine |
| Formula: | C9 H10 F3 N |
| Formal charge: | 0 |
| Formula weight: | 189.178 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine |
| OpenEye OEToolkits | 2.0.7 | ~{N}-methyl-1-[4-(trifluoromethyl)phenyl]methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CNCc1ccc(cc1)C(F)(F)F |
| InChI | InChI | 1.06 | InChI=1S/C9H10F3N/c1-13-6-7-2-4-8(5-3-7)9(10,11)12/h2-5,13H,6H2,1H3 |
| InChIKey | InChI | 1.06 | YMSMEZAYZIYFGA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNCc1ccc(cc1)C(F)(F)F |
| SMILES | CACTVS | 3.385 | CNCc1ccc(cc1)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNCc1ccc(cc1)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNCc1ccc(cc1)C(F)(F)F |
