VMT
Summary
| Name: | 2-(4-bromophenyl)ethanamine |
| Synonyms: | 4-Bromophenethylamine |
| Formula: | C8 H10 Br N |
| Formal charge: | 0 |
| Formula weight: | 200.076 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-(4-bromophenyl)ethanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C8H10BrN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5-6,10H2 |
| InChIKey | InChI | 1.06 | ZSZCXAOQVBEPME-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCc1ccc(Br)cc1 |
| SMILES | CACTVS | 3.385 | NCCc1ccc(Br)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CCN)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CCN)Br |
