A1AFV
Summary
| Name: | 2-(1H-indol-3-yl)-N,N-dimethylethan-1-amine |
| Formula: | C12 H16 N2 |
| Formal charge: | 0 |
| Formula weight: | 188.269 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(1H-indol-3-yl)-N,N-dimethylethan-1-amine |
| OpenEye OEToolkits | 2.0.7 | 2-(1~{H}-indol-3-yl)-~{N},~{N}-dimethyl-ethanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CN(C)CCc1c[NH]c2ccccc21 |
| InChI | InChI | 1.06 | InChI=1S/C12H16N2/c1-14(2)8-7-10-9-13-12-6-4-3-5-11(10)12/h3-6,9,13H,7-8H2,1-2H3 |
| InChIKey | InChI | 1.06 | DMULVCHRPCFFGV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)CCc1c[nH]c2ccccc12 |
| SMILES | CACTVS | 3.385 | CN(C)CCc1c[nH]c2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)CCc1c[nH]c2c1cccc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)CCc1c[nH]c2c1cccc2 |
