1HU
Summary
| Name: | 2-(1H-indol-3-yl)-N-methylethanamine |
| Formula: | C11 H14 N2 |
| Formal charge: | 0 |
| Formula weight: | 174.242 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(1H-indol-3-yl)-N-methylethanamine |
| OpenEye OEToolkits | 1.7.6 | 2-(1H-indol-3-yl)-N-methyl-ethanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1cccc2c1c(cn2)CCNC |
| InChI | InChI | 1.03 | InChI=1S/C11H14N2/c1-12-7-6-9-8-13-11-5-3-2-4-10(9)11/h2-5,8,12-13H,6-7H2,1H3 |
| InChIKey | InChI | 1.03 | NCIKQJBVUNUXLW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CNCCc1c[nH]c2ccccc12 |
| SMILES | CACTVS | 3.370 | CNCCc1c[nH]c2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CNCCc1c[nH]c2c1cccc2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CNCCc1c[nH]c2c1cccc2 |
