6RN
Summary
| Name: | 4-methoxy-N-[(pyridin-2-yl)methyl]aniline |
| Formula: | C13 H14 N2 O |
| Formal charge: | 0 |
| Formula weight: | 214.263 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-methoxy-N-[(pyridin-2-yl)methyl]aniline |
| OpenEye OEToolkits | 2.0.7 | 4-methoxy-~{N}-(pyridin-2-ylmethyl)aniline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2(NCc1ncccc1)ccc(OC)cc2 |
| InChI | InChI | 1.03 | InChI=1S/C13H14N2O/c1-16-13-7-5-11(6-8-13)15-10-12-4-2-3-9-14-12/h2-9,15H,10H2,1H3 |
| InChIKey | InChI | 1.03 | VZYUNDIQWDHYLW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(NCc2ccccn2)cc1 |
| SMILES | CACTVS | 3.385 | COc1ccc(NCc2ccccn2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)NCc2ccccn2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)NCc2ccccn2 |
