3C5
概要
| 表記: | N-methyl-1-[3-(pyridin-3-yl)phenyl]methanamine |
| 組成式: | C13 H14 N2 |
| 電荷: | 0 |
| 化学式量: | 198.264 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-methyl-1-[3-(pyridin-3-yl)phenyl]methanamine |
| OpenEye OEToolkits | 1.9.2 | N-methyl-1-(3-pyridin-3-ylphenyl)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 | n2cccc(c1cc(ccc1)CNC)c2 |
| InChI | InChI | 1.03 | InChI=1S/C13H14N2/c1-14-9-11-4-2-5-12(8-11)13-6-3-7-15-10-13/h2-8,10,14H,9H2,1H3 |
| InChIKey | InChI | 1.03 | LZJRRTLTBULOHU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNCc1cccc(c1)c2cccnc2 |
| SMILES | CACTVS | 3.385 | CNCc1cccc(c1)c2cccnc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CNCc1cccc(c1)c2cccnc2 |
| SMILES | OpenEye OEToolkits | 1.9.2 | CNCc1cccc(c1)c2cccnc2 |
