A1H0J
Summary
| Name: | (1~{R})-1-(4-iodophenyl)ethanamine |
| Formula: | C8 H10 I N |
| Formal charge: | 0 |
| Formula weight: | 247.076 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{R})-1-(4-iodophenyl)ethanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C8H10IN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3/t6-/m1/s1 |
| InChIKey | InChI | 1.06 | HLCLTOJXMUXWQW-ZCFIWIBFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](N)c1ccc(I)cc1 |
| SMILES | CACTVS | 3.385 | C[CH](N)c1ccc(I)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](c1ccc(cc1)I)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(c1ccc(cc1)I)N |
