YFW
概要
表記: | 2-(5-methoxy-1H-indol-3-yl)-N,N-dimethylethan-1-amine |
組成式: | C13 H18 N2 O |
電荷: | 0 |
化学式量: | 218.295 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 | 2-(5-methoxy-1H-indol-3-yl)-N,N-dimethylethan-1-amine |
OpenEye OEToolkits | 2.0.7 | 2-(5-methoxy-1~{H}-indol-3-yl)-~{N},~{N}-dimethyl-ethanamine |
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 | CN(C)CCc1c[NH]c2ccc(cc21)OC |
InChI | InChI | 1.06 | InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3 |
InChIKey | InChI | 1.06 | ZSTKHSQDNIGFLM-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2[nH]cc(CCN(C)C)c2c1 |
SMILES | CACTVS | 3.385 | COc1ccc2[nH]cc(CCN(C)C)c2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)CCc1c[nH]c2c1cc(cc2)OC |
SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)CCc1c[nH]c2c1cc(cc2)OC |