A1A0G
Summary
| Name: | (6P)-6-{3-chloro-5-[(methylamino)methyl]phenyl}-4-methylpyridin-2-amine |
| Formula: | C14 H16 Cl N3 |
| Formal charge: | 0 |
| Formula weight: | 261.75 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (6P)-6-{3-chloro-5-[(methylamino)methyl]phenyl}-4-methylpyridin-2-amine |
| OpenEye OEToolkits | 2.0.7 | 6-[3-chloranyl-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(Cl)c1 |
| InChI | InChI | 1.06 | InChI=1S/C14H16ClN3/c1-9-3-13(18-14(16)4-9)11-5-10(8-17-2)6-12(15)7-11/h3-7,17H,8H2,1-2H3,(H2,16,18) |
| InChIKey | InChI | 1.06 | JITPECVQOVGCHH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNCc1cc(Cl)cc(c1)c2cc(C)cc(N)n2 |
| SMILES | CACTVS | 3.385 | CNCc1cc(Cl)cc(c1)c2cc(C)cc(N)n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(nc(c1)N)c2cc(cc(c2)Cl)CNC |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(nc(c1)N)c2cc(cc(c2)Cl)CNC |
