A1JIE
Summary
| Name: | (3~{S})-3-(4-iodanylphenoxy)-~{N}-methyl-3-phenyl-propan-1-amine |
| Formula: | C16 H18 I N O |
| Formal charge: | 0 |
| Formula weight: | 367.225 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{S})-3-(4-iodanylphenoxy)-~{N}-methyl-3-phenyl-propan-1-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H18INO/c1-18-12-11-16(13-5-3-2-4-6-13)19-15-9-7-14(17)8-10-15/h2-10,16,18H,11-12H2,1H3/t16-/m0/s1 |
| InChIKey | InChI | 1.06 | BAEJWAJUFOTUFW-INIZCTEOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNCC[C@H](Oc1ccc(I)cc1)c2ccccc2 |
| SMILES | CACTVS | 3.385 | CNCC[CH](Oc1ccc(I)cc1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNCC[C@@H](c1ccccc1)Oc2ccc(cc2)I |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNCCC(c1ccccc1)Oc2ccc(cc2)I |
