408
概要
| 表記: | (3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine |
| 別名: | (R)-Norfluoxetine |
| 組成式: | C16 H16 F3 N O |
| 電荷: | 0 |
| 化学式量: | 295.3 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 | (3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine |
| OpenEye OEToolkits | 1.9.2 | (3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine |
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 | FC(F)(F)c2ccc(OC(c1ccccc1)CCN)cc2 |
| InChI | InChI | 1.03 | InChI=1S/C16H16F3NO/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12/h1-9,15H,10-11,20H2/t15-/m1/s1 |
| InChIKey | InChI | 1.03 | WIQRCHMSJFFONW-OAHLLOKOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCC[C@@H](Oc1ccc(cc1)C(F)(F)F)c2ccccc2 |
| SMILES | CACTVS | 3.385 | NCC[CH](Oc1ccc(cc1)C(F)(F)F)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)[C@@H](CCN)Oc2ccc(cc2)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)C(CCN)Oc2ccc(cc2)C(F)(F)F |
