A1A0B
Summary
| Name: | (6M)-6-{2,3-difluoro-5-[(methylamino)methyl]phenyl}-4-methylpyridin-2-amine |
| Formula: | C14 H15 F2 N3 |
| Formal charge: | 0 |
| Formula weight: | 263.286 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (6M)-6-{2,3-difluoro-5-[(methylamino)methyl]phenyl}-4-methylpyridin-2-amine |
| OpenEye OEToolkits | 2.0.7 | 6-[2,3-bis(fluoranyl)-5-(methylaminomethyl)phenyl]-4-methyl-pyridin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cc1cc(nc(N)c1)c1cc(CNC)cc(F)c1F |
| InChI | InChI | 1.06 | InChI=1S/C14H15F2N3/c1-8-3-12(19-13(17)4-8)10-5-9(7-18-2)6-11(15)14(10)16/h3-6,18H,7H2,1-2H3,(H2,17,19) |
| InChIKey | InChI | 1.06 | XVCKDVNNJHQEHU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNCc1cc(F)c(F)c(c1)c2cc(C)cc(N)n2 |
| SMILES | CACTVS | 3.385 | CNCc1cc(F)c(F)c(c1)c2cc(C)cc(N)n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(nc(c1)N)c2cc(cc(c2F)F)CNC |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(nc(c1)N)c2cc(cc(c2F)F)CNC |
