A1LX4
Summary
| Name: | (3R)-N-methyl-3-(2-methylphenoxy)-3-phenyl-propan-1-amine |
| Synonyms: | Atomoxetine |
| Formula: | C17 H21 N O |
| Formal charge: | 0 |
| Formula weight: | 255.355 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{R})-~{N}-methyl-3-(2-methylphenoxy)-3-phenyl-propan-1-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1 |
| InChIKey | InChI | 1.06 | VHGCDTVCOLNTBX-QGZVFWFLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNCC[C@@H](Oc1ccccc1C)c2ccccc2 |
| SMILES | CACTVS | 3.385 | CNCC[CH](Oc1ccccc1C)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccccc1O[C@H](CCNC)c2ccccc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccccc1OC(CCNC)c2ccccc2 |
