A1BDO
Summary
| Name: | N-[2-(6-methylpyridin-3-yl)ethyl]aniline |
| Formula: | C14 H16 N2 |
| Formal charge: | 0 |
| Formula weight: | 212.29 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N-[2-(6-methylpyridin-3-yl)ethyl]aniline |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-[2-(6-methylpyridin-3-yl)ethyl]aniline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Cc1ccc(CCNc2ccccc2)cn1 |
| InChI | InChI | 1.06 | InChI=1S/C14H16N2/c1-12-7-8-13(11-16-12)9-10-15-14-5-3-2-4-6-14/h2-8,11,15H,9-10H2,1H3 |
| InChIKey | InChI | 1.06 | NYZHDBKVHXVXBL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(CCNc2ccccc2)cn1 |
| SMILES | CACTVS | 3.385 | Cc1ccc(CCNc2ccccc2)cn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1ccc(cn1)CCNc2ccccc2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1ccc(cn1)CCNc2ccccc2 |
