M62
Summary
| Name: | 7-{[(3-fluorophenyl)amino]methyl}quinolin-2-amine |
| Formula: | C16 H14 F N3 |
| Formal charge: | 0 |
| Formula weight: | 267.301 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 7-{[(3-fluorophenyl)amino]methyl}quinolin-2-amine |
| OpenEye OEToolkits | 2.0.6 | 7-[[(3-fluorophenyl)amino]methyl]quinolin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1c2c(ccc1N)ccc(c2)CNc3cc(ccc3)F |
| InChI | InChI | 1.03 | InChI=1S/C16H14FN3/c17-13-2-1-3-14(9-13)19-10-11-4-5-12-6-7-16(18)20-15(12)8-11/h1-9,19H,10H2,(H2,18,20) |
| InChIKey | InChI | 1.03 | UVVDQBVYPPCDJF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc2ccc(CNc3cccc(F)c3)cc2n1 |
| SMILES | CACTVS | 3.385 | Nc1ccc2ccc(CNc3cccc(F)c3)cc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)F)NCc2ccc3ccc(nc3c2)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)F)NCc2ccc3ccc(nc3c2)N |
