AXS
Summary
| Name: | 1-(4-fluorophenyl)-~{N}-[[(2~{R})-oxolan-2-yl]methyl]methanamine |
| 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 | 2.0.6 | 1-(4-fluorophenyl)-~{N}-[[(2~{R})-oxolan-2-yl]methyl]methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H16FNO/c13-11-5-3-10(4-6-11)8-14-9-12-2-1-7-15-12/h3-6,12,14H,1-2,7-9H2/t12-/m1/s1 |
| InChIKey | InChI | 1.03 | SLYWRVMUMWKSOX-GFCCVEGCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc(CNC[C@H]2CCCO2)cc1 |
| SMILES | CACTVS | 3.385 | Fc1ccc(CNC[CH]2CCCO2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1CNC[C@H]2CCCO2)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1CNCC2CCCO2)F |
