A1BC2
Summary
| Name: | 2-(5-fluoro-1H-indol-3-yl)ethan-1-amine |
| Formula: | C10 H11 F N2 |
| Formal charge: | 0 |
| Formula weight: | 178.206 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 2-(5-fluoro-1H-indol-3-yl)ethan-1-amine |
| OpenEye OEToolkits | 3.1.0.0 | 2-(5-fluoranyl-1~{H}-indol-3-yl)ethanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Fc1cc2c(cc1)[NH]cc2CCN |
| InChI | InChI | 1.06 | InChI=1S/C10H11FN2/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,13H,3-4,12H2 |
| InChIKey | InChI | 1.06 | ZKIORVIXEWIOGB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCc1c[nH]c2ccc(F)cc12 |
| SMILES | CACTVS | 3.385 | NCCc1c[nH]c2ccc(F)cc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc2c(cc1F)c(c[nH]2)CCN |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc2c(cc1F)c(c[nH]2)CCN |
