XVZ
Summary
| Name: | 6-{2-[5-(2-aminoethyl)-2,3-difluorophenyl]ethyl}-4-methylpyridin-2-amine |
| Formula: | C16 H19 F2 N3 |
| Formal charge: | 0 |
| Formula weight: | 291.339 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-{2-[5-(2-aminoethyl)-2,3-difluorophenyl]ethyl}-4-methylpyridin-2-amine |
| OpenEye OEToolkits | 2.0.7 | 6-[2-[5-(2-azanylethyl)-2,3-bis(fluoranyl)phenyl]ethyl]-4-methyl-pyridin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cc1cc(CCc2cc(CCN)cc(F)c2F)nc(N)c1 |
| InChI | InChI | 1.06 | InChI=1S/C16H19F2N3/c1-10-6-13(21-15(20)7-10)3-2-12-8-11(4-5-19)9-14(17)16(12)18/h6-9H,2-5,19H2,1H3,(H2,20,21) |
| InChIKey | InChI | 1.06 | OQUWRANPJSGUGT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(N)nc(CCc2cc(CCN)cc(F)c2F)c1 |
| SMILES | CACTVS | 3.385 | Cc1cc(N)nc(CCc2cc(CCN)cc(F)c2F)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CCN |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CCN |
