A1II2
Summary
| Name: | 4-[[(5-bromanylpyridin-3-yl)methylamino]methyl]aniline |
| Formula: | C13 H14 Br N3 |
| Formal charge: | 0 |
| Formula weight: | 292.174 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[[(5-bromanylpyridin-3-yl)methylamino]methyl]aniline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H14BrN3/c14-12-5-11(8-17-9-12)7-16-6-10-1-3-13(15)4-2-10/h1-5,8-9,16H,6-7,15H2 |
| InChIKey | InChI | 1.06 | XYXFWJIPNFLQRI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc(CNCc2cncc(Br)c2)cc1 |
| SMILES | CACTVS | 3.385 | Nc1ccc(CNCc2cncc(Br)c2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CNCc2cc(cnc2)Br)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CNCc2cc(cnc2)Br)N |
