SYL
Summary
| Name: | (1R)-1-[3-(cyclohexylmethoxy)phenyl]-3-(methylamino)propan-1-ol |
| Formula: | C17 H27 N O2 |
| Formal charge: | 0 |
| Formula weight: | 277.402 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1R)-1-[3-(cyclohexylmethoxy)phenyl]-3-(methylamino)propan-1-ol |
| OpenEye OEToolkits | 2.0.7 | (1~{R})-1-[3-(cyclohexylmethoxy)phenyl]-3-(methylamino)propan-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CNCCC(O)c1cc(OCC2CCCCC2)ccc1 |
| InChI | InChI | 1.06 | InChI=1S/C17H27NO2/c1-18-11-10-17(19)15-8-5-9-16(12-15)20-13-14-6-3-2-4-7-14/h5,8-9,12,14,17-19H,2-4,6-7,10-11,13H2,1H3/t17-/m1/s1 |
| InChIKey | InChI | 1.06 | ZUJMXLRQVDCTHJ-QGZVFWFLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNCC[C@@H](O)c1cccc(OCC2CCCCC2)c1 |
| SMILES | CACTVS | 3.385 | CNCC[CH](O)c1cccc(OCC2CCCCC2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNCC[C@H](c1cccc(c1)OCC2CCCCC2)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNCCC(c1cccc(c1)OCC2CCCCC2)O |
