O3G
概要
| 表記: | N-benzyl-1-(4-fluorophenyl)methanamine |
| 組成式: | C14 H14 F N |
| 電荷: | 0 |
| 化学式量: | 215.266 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | N-benzyl-1-(4-fluorophenyl)methanamine |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[(4-fluorophenyl)methyl]-1-phenyl-methanamine |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | N(Cc1ccc(F)cc1)Cc2ccccc2 |
| InChI | InChI | 1.03 | InChI=1S/C14H14FN/c15-14-8-6-13(7-9-14)11-16-10-12-4-2-1-3-5-12/h1-9,16H,10-11H2 |
| InChIKey | InChI | 1.03 | SXZSRGKJZKOZRP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc(CNCc2ccccc2)cc1 |
| SMILES | CACTVS | 3.385 | Fc1ccc(CNCc2ccccc2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)CNCc2ccc(cc2)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)CNCc2ccc(cc2)F |
