ML6
Summary
| Name: | 7-({[3-(3-fluorophenyl)propyl]amino}methyl)quinolin-2-amine |
| Formula: | C19 H20 F N3 |
| Formal charge: | 0 |
| Formula weight: | 309.381 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 7-({[3-(3-fluorophenyl)propyl]amino}methyl)quinolin-2-amine |
| OpenEye OEToolkits | 1.7.6 | 7-[[3-(3-fluorophenyl)propylamino]methyl]quinolin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc1cccc(c1)CCCNCc2cc3nc(ccc3cc2)N |
| InChI | InChI | 1.03 | InChI=1S/C19H20FN3/c20-17-5-1-3-14(11-17)4-2-10-22-13-15-6-7-16-8-9-19(21)23-18(16)12-15/h1,3,5-9,11-12,22H,2,4,10,13H2,(H2,21,23) |
| InChIKey | InChI | 1.03 | QIPUHKWELQSESM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc2ccc(CNCCCc3cccc(F)c3)cc2n1 |
| SMILES | CACTVS | 3.385 | Nc1ccc2ccc(CNCCCc3cccc(F)c3)cc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)F)CCCNCc2ccc3ccc(nc3c2)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)F)CCCNCc2ccc3ccc(nc3c2)N |
