A1ELA
Summary
| Name: | (2~{R})-1-(4-iodanyl-2,5-dimethoxy-phenyl)-~{N}-[(2-methoxyphenyl)methyl]propan-2-amine |
| Formula: | C19 H24 I N O3 |
| Formal charge: | 0 |
| Formula weight: | 441.303 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-1-(4-iodanyl-2,5-dimethoxy-phenyl)-~{N}-[(2-methoxyphenyl)methyl]propan-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H24INO3/c1-13(21-12-14-7-5-6-8-17(14)22-2)9-15-10-19(24-4)16(20)11-18(15)23-3/h5-8,10-11,13,21H,9,12H2,1-4H3/t13-/m1/s1 |
| InChIKey | InChI | 1.06 | XRQNUXKKHOVYIR-CYBMUJFWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccccc1CN[C@H](C)Cc2cc(OC)c(I)cc2OC |
| SMILES | CACTVS | 3.385 | COc1ccccc1CN[CH](C)Cc2cc(OC)c(I)cc2OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](Cc1cc(c(cc1OC)I)OC)NCc2ccccc2OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(Cc1cc(c(cc1OC)I)OC)NCc2ccccc2OC |
