A3V
Summary
| Name: | (1R)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol |
| Formula: | C16 H25 N O2 |
| Formal charge: | 0 |
| Formula weight: | 263.375 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1R)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol |
| OpenEye OEToolkits | 1.7.6 | (1R)-3-azanyl-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O(c1cc(ccc1)C(O)CCN)CC2CCCCC2 |
| InChI | InChI | 1.03 | InChI=1S/C16H25NO2/c17-10-9-16(18)14-7-4-8-15(11-14)19-12-13-5-2-1-3-6-13/h4,7-8,11,13,16,18H,1-3,5-6,9-10,12,17H2/t16-/m1/s1 |
| InChIKey | InChI | 1.03 | WJIGGYYSZBWCGC-MRXNPFEDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCC[C@@H](O)c1cccc(OCC2CCCCC2)c1 |
| SMILES | CACTVS | 3.385 | NCC[CH](O)c1cccc(OCC2CCCCC2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)OCC2CCCCC2)[C@@H](CCN)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)OCC2CCCCC2)C(CCN)O |
