G3W
Summary
| Name: | 2-(4-fluorophenyl)-~{N}-[(4-phenoxyphenyl)methyl]ethanamine |
| Formula: | C21 H20 F N O |
| Formal charge: | 0 |
| Formula weight: | 321.388 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-(4-fluorophenyl)-~{N}-[(4-phenoxyphenyl)methyl]ethanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C21H20FNO/c22-19-10-6-17(7-11-19)14-15-23-16-18-8-12-21(13-9-18)24-20-4-2-1-3-5-20/h1-13,23H,14-16H2 |
| InChIKey | InChI | 1.03 | BPPBYUPUAFZCNN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc(CCNCc2ccc(Oc3ccccc3)cc2)cc1 |
| SMILES | CACTVS | 3.385 | Fc1ccc(CCNCc2ccc(Oc3ccccc3)cc2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)Oc2ccc(cc2)CNCCc3ccc(cc3)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)Oc2ccc(cc2)CNCCc3ccc(cc3)F |
