VJ0
Summary
| Name: | (1S)-1-(3-fluoro-4-methoxyphenyl)ethan-1-amine |
| Formula: | C9 H12 F N O |
| Formal charge: | 0 |
| Formula weight: | 169.196 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1S)-1-(3-fluoro-4-methoxyphenyl)ethan-1-amine |
| OpenEye OEToolkits | 2.0.7 | (1~{S})-1-(3-fluoranyl-4-methoxy-phenyl)ethanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc1cc(ccc1OC)C(C)N |
| InChI | InChI | 1.06 | InChI=1S/C9H12FNO/c1-6(11)7-3-4-9(12-2)8(10)5-7/h3-6H,11H2,1-2H3/t6-/m0/s1 |
| InChIKey | InChI | 1.06 | WGUPBBABCUKYCC-LURJTMIESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1F)[C@H](C)N |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1F)[CH](C)N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](c1ccc(c(c1)F)OC)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(c1ccc(c(c1)F)OC)N |
