VWA
Summary
| Name: | (1S)-1-(4-fluorophenyl)-N-methylethan-1-amine |
| Formula: | C9 H12 F N |
| Formal charge: | 0 |
| Formula weight: | 153.197 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1S)-1-(4-fluorophenyl)-N-methylethan-1-amine |
| OpenEye OEToolkits | 2.0.7 | (1~{S})-1-(4-fluorophenyl)-~{N}-methyl-ethanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N(C)C(c1ccc(cc1)F)C |
| InChI | InChI | 1.03 | InChI=1S/C9H12FN/c1-7(11-2)8-3-5-9(10)6-4-8/h3-7,11H,1-2H3/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | YORRIBKELCOOIJ-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN[C@@H](C)c1ccc(F)cc1 |
| SMILES | CACTVS | 3.385 | CN[CH](C)c1ccc(F)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](c1ccc(cc1)F)NC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(c1ccc(cc1)F)NC |
