A1EK5
Summary
| Name: | (2~{R})-1-(4-iodanyl-2,5-dimethoxy-phenyl)propan-2-amine |
| Formula: | C11 H16 I N O2 |
| Formal charge: | 0 |
| Formula weight: | 321.155 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-1-(4-iodanyl-2,5-dimethoxy-phenyl)propan-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H16INO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3/t7-/m1/s1 |
| InChIKey | InChI | 1.06 | BGMZUEKZENQUJY-SSDOTTSWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(C[C@@H](C)N)c(OC)cc1I |
| SMILES | CACTVS | 3.385 | COc1cc(C[CH](C)N)c(OC)cc1I |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](Cc1cc(c(cc1OC)I)OC)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(Cc1cc(c(cc1OC)I)OC)N |
