8D7
Summary
| Name: | (1R)-3-amino-1-{3-[(2-propylpentyl)oxy]phenyl}propan-1-ol |
| Formula: | C17 H29 N O2 |
| Formal charge: | 0 |
| Formula weight: | 279.418 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1R)-3-amino-1-{3-[(2-propylpentyl)oxy]phenyl}propan-1-ol |
| OpenEye OEToolkits | 2.0.6 | (1~{R})-3-azanyl-1-[3-(2-propylpentoxy)phenyl]propan-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1c(cccc1C(O)CCN)OCC(CCC)CCC |
| InChI | InChI | 1.03 | InChI=1S/C17H29NO2/c1-3-6-14(7-4-2)13-20-16-9-5-8-15(12-16)17(19)10-11-18/h5,8-9,12,14,17,19H,3-4,6-7,10-11,13,18H2,1-2H3/t17-/m1/s1 |
| InChIKey | InChI | 1.03 | LNRJYZXFMPBCCV-QGZVFWFLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCC(CCC)COc1cccc(c1)[C@H](O)CCN |
| SMILES | CACTVS | 3.385 | CCCC(CCC)COc1cccc(c1)[CH](O)CCN |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCCC(CCC)COc1cccc(c1)[C@@H](CCN)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCCC(CCC)COc1cccc(c1)C(CCN)O |
