C16H18Br2N2 — CID 107948068
[1-(2,4-dibromophenyl)-2-(3,4-dimethylphenyl)ethyl]hydrazine (PubChem CID 107948068) has the molecular formula C16H18Br2N2 and a molecular weight of 398.14 g/mol. Its IUPAC name is [1-(2,4-dibromophenyl)-2-(3,4-dimethylphenyl)ethyl]hydrazine.
| Compound Name | [1-(2,4-dibromophenyl)-2-(3,4-dimethylphenyl)ethyl]hydrazine |
|---|---|
| PubChem CID | 107948068 |
| Molecular Formula | C16H18Br2N2 |
| Molecular Weight | 398.14 g/mol |
| Exact Mass | 395.98 |
| IUPAC Name | [1-(2,4-dibromophenyl)-2-(3,4-dimethylphenyl)ethyl]hydrazine |
| SMILES | Cc1ccc(CC(NN)c2ccc(Br)cc2Br)cc1C |
| InChI | InChI=1S/C16H18Br2N2/c1-10-3-4-12(7-11(10)2)8-16(20-19)14-6-5-13(17)9-15(14)18/h3-7,9,16,20H,8,19H2,1-2H3 |
| InChIKey | JIIAKVIQXYTQQB-UHFFFAOYSA-N |
| XLogP | 4.58 |
| TPSA | 38.05 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 20 |
| Complexity | — |
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 398.14 |
| LogP ≤ 5 | 4.58 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
| Structural Alerts | {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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