BYJ
Summary
| Name: | 4-methyl-6-(2-{3-[3-(methylamino)propyl]phenyl}ethyl)pyridin-2-amine |
| Formula: | C18 H25 N3 |
| Formal charge: | 0 |
| Formula weight: | 283.411 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-methyl-6-(2-{3-[3-(methylamino)propyl]phenyl}ethyl)pyridin-2-amine |
| OpenEye OEToolkits | 2.0.6 | 4-methyl-6-[2-[3-[3-(methylamino)propyl]phenyl]ethyl]pyridin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Nc1cc(C)cc(n1)CCc2cccc(c2)CCCNC |
| InChI | InChI | 1.03 | InChI=1S/C18H25N3/c1-14-11-17(21-18(19)12-14)9-8-16-6-3-5-15(13-16)7-4-10-20-2/h3,5-6,11-13,20H,4,7-10H2,1-2H3,(H2,19,21) |
| InChIKey | InChI | 1.03 | CUTMJYPBBFYFJH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNCCCc1cccc(CCc2cc(C)cc(N)n2)c1 |
| SMILES | CACTVS | 3.385 | CNCCCc1cccc(CCc2cc(C)cc(N)n2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc(nc(c1)N)CCc2cccc(c2)CCCNC |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc(nc(c1)N)CCc2cccc(c2)CCCNC |
