W0S
概要
| 表記: | 1-(3,4,5-trimethoxyphenyl)methanamine |
| 組成式: | C10 H15 N O3 |
| 電荷: | 0 |
| 化学式量: | 197.231 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 | 1-(3,4,5-trimethoxyphenyl)methanamine |
| OpenEye OEToolkits | 2.0.7 | (3,4,5-trimethoxyphenyl)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 | C(N)c1cc(c(c(c1)OC)OC)OC |
| InChI | InChI | 1.03 | InChI=1S/C10H15NO3/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-5H,6,11H2,1-3H3 |
| InChIKey | InChI | 1.03 | YUPUSBMJCFBHAP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(CN)cc(OC)c1OC |
| SMILES | CACTVS | 3.385 | COc1cc(CN)cc(OC)c1OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cc(cc(c1OC)OC)CN |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1cc(cc(c1OC)OC)CN |
