YFW
Summary
| Name: | 2-(5-methoxy-1H-indol-3-yl)-N,N-dimethylethan-1-amine |
| Formula: | C13 H18 N2 O |
| Formal charge: | 0 |
| Formula weight: | 218.295 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| 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 |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| 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 |
