2J5
Summary
| Name: | 2-{[(3-methylpyridin-2-yl)amino]methyl}phenol |
| 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 | 2-{[(3-methylpyridin-2-yl)amino]methyl}phenol |
| OpenEye OEToolkits | 1.7.6 | 2-[[(3-methylpyridin-2-yl)amino]methyl]phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Oc1c(cccc1)CNc2ncccc2C |
| InChI | InChI | 1.03 | InChI=1S/C13H14N2O/c1-10-5-4-8-14-13(10)15-9-11-6-2-3-7-12(11)16/h2-8,16H,9H2,1H3,(H,14,15) |
| InChIKey | InChI | 1.03 | OIQQRLRYXHZROE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cccnc1NCc2ccccc2O |
| SMILES | CACTVS | 3.385 | Cc1cccnc1NCc2ccccc2O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cccnc1NCc2ccccc2O |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cccnc1NCc2ccccc2O |
