M87
Summary
| Name: | 7-[[2-(3-fluorophenyl)ethylamino]methyl]quinolin-2-amine |
| Formula: | C18 H18 F N3 |
| Formal charge: | 0 |
| Formula weight: | 295.354 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 7-({[2-(3-fluorophenyl)ethyl]amino}methyl)quinolin-2-amine |
| OpenEye OEToolkits | 1.7.6 | 7-[[2-(3-fluorophenyl)ethylamino]methyl]quinolin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc1cccc(c1)CCNCc2cc3nc(ccc3cc2)N |
| InChI | InChI | 1.03 | InChI=1S/C18H18FN3/c19-16-3-1-2-13(10-16)8-9-21-12-14-4-5-15-6-7-18(20)22-17(15)11-14/h1-7,10-11,21H,8-9,12H2,(H2,20,22) |
| InChIKey | InChI | 1.03 | YXSBPQQVHVXHJN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc2ccc(CNCCc3cccc(F)c3)cc2n1 |
| SMILES | CACTVS | 3.385 | Nc1ccc2ccc(CNCCc3cccc(F)c3)cc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)F)CCNCc2ccc3ccc(nc3c2)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)F)CCNCc2ccc3ccc(nc3c2)N |
