A1IB2
Summary
| Name: | ~{N}-[(3-fluorophenyl)methyl]-4-[(4-methylpiperazin-1-yl)methyl]aniline |
| Formula: | C19 H24 F N3 |
| Formal charge: | 0 |
| Formula weight: | 313.412 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(3-fluorophenyl)methyl]-4-[(4-methylpiperazin-1-yl)methyl]aniline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H24FN3/c1-22-9-11-23(12-10-22)15-16-5-7-19(8-6-16)21-14-17-3-2-4-18(20)13-17/h2-8,13,21H,9-12,14-15H2,1H3 |
| InChIKey | InChI | 1.06 | JPTKUCQNUDNVOG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCN(CC1)Cc2ccc(NCc3cccc(F)c3)cc2 |
| SMILES | CACTVS | 3.385 | CN1CCN(CC1)Cc2ccc(NCc3cccc(F)c3)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1CCN(CC1)Cc2ccc(cc2)NCc3cccc(c3)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1CCN(CC1)Cc2ccc(cc2)NCc3cccc(c3)F |
