54P
Summary
| Name: | 3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propan-1-ol |
| Formula: | C16 H18 Cl N O |
| Formal charge: | 0 |
| Formula weight: | 275.773 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propan-1-ol |
| OpenEye OEToolkits | 1.9.2 | 3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propan-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(NCc1cc(Cl)c(cc1)c2ccccc2)CCO |
| InChI | InChI | 1.03 | InChI=1S/C16H18ClNO/c17-16-11-13(12-18-9-4-10-19)7-8-15(16)14-5-2-1-3-6-14/h1-3,5-8,11,18-19H,4,9-10,12H2 |
| InChIKey | InChI | 1.03 | LRAJXJVLEJVQIE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCCCNCc1ccc(c(Cl)c1)c2ccccc2 |
| SMILES | CACTVS | 3.385 | OCCCNCc1ccc(c(Cl)c1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)c2ccc(cc2Cl)CNCCCO |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)c2ccc(cc2Cl)CNCCCO |
