49Z
Summary
| Name: | 2-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine |
| Formula: | C14 H16 F N S |
| Formal charge: | 0 |
| Formula weight: | 249.347 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine |
| OpenEye OEToolkits | 1.9.2 | 2-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc1ccccc1CCNCc2sc(cc2)C |
| InChI | InChI | 1.03 | InChI=1S/C14H16FNS/c1-11-6-7-13(17-11)10-16-9-8-12-4-2-3-5-14(12)15/h2-7,16H,8-10H2,1H3 |
| InChIKey | InChI | 1.03 | NZNHJQFNTSWMCR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1sc(CNCCc2ccccc2F)cc1 |
| SMILES | CACTVS | 3.385 | Cc1sc(CNCCc2ccccc2F)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1ccc(s1)CNCCc2ccccc2F |
| SMILES | OpenEye OEToolkits | 1.9.2 | Cc1ccc(s1)CNCCc2ccccc2F |
