A1JH7
Summary
| Name: | (1~{S})-1-[4-(cyclopropylmethoxy)-3-fluoranyl-phenyl]ethanamine |
| Formula: | C12 H16 F N O |
| Formal charge: | 0 |
| Formula weight: | 209.26 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{S})-1-[4-(cyclopropylmethoxy)-3-fluoranyl-phenyl]ethanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H16FNO/c1-8(14)10-4-5-12(11(13)6-10)15-7-9-2-3-9/h4-6,8-9H,2-3,7,14H2,1H3/t8-/m0/s1 |
| InChIKey | InChI | 1.06 | CCNWTEVVKOBOCR-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](N)c1ccc(OCC2CC2)c(F)c1 |
| SMILES | CACTVS | 3.385 | C[CH](N)c1ccc(OCC2CC2)c(F)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](c1ccc(c(c1)F)OCC2CC2)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(c1ccc(c(c1)F)OCC2CC2)N |
