HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 68771237Generated: November 5, 2026
4-{[trans-5-Amino-4-(2,4-dichlorophenyl)-2-phenylcyclohex-1-en-1-yl]methoxy}benzonitrile
https://huagongshe.com/en/chemical/68771237
Identifiers & Physical Properties
| Molecular formula | C26H22Cl2N2O |
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| Average molar mass | 449.4 g/mol |
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| Monoisotopic mass | 448.1109187 g/mol |
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| SMILES | N#Cc1ccc(OCC2=C(c3ccccc3)C[C@@H](c3ccc(Cl)cc3Cl)[C@H](N)C2)cc1 |
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| InChIKey | PSEUUELVNBGBLB-AZGAKELHSA-N |
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| PubChem CID | 68771237 |
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Chemical & Physical Properties
| XLogP | 5.4 |
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| Topological polar surface area | 59 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 3 |
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| Rotatable bonds | 5 |
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| Heavy atoms | 31 |
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| Formal charge | 0 |
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| Complexity | 672 |
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![4-{[trans-5-Amino-4-(2,4-dichlorophenyl)-2-phenylcyclohex-1-en-1-yl]methoxy}benzonitrile molecular structure](/img/chemical/68771237.png)