About 1-[[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylhydrazine
1-[[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylhydrazine (PubChem CID 169385039) has the molecular formula C18H22FN3O
and a molecular weight of 315.39 g/mol. Its IUPAC name is 1-[[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylhydrazine.
Molecular Properties
| Compound Name | 1-[[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylhydrazine |
| PubChem CID | 169385039 |
| Molecular Formula | C18H22FN3O |
| Molecular Weight | 315.39 g/mol |
| Exact Mass | 315.17 |
| IUPAC Name | 1-[[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylhydrazine |
| SMILES | Fc1ccc(CNNc2ccccc2)c(CN2CCOCC2)c1 |
| InChI | InChI=1S/C18H22FN3O/c19-17-7-6-15(13-20-21-18-4-2-1-3-5-18)16(12-17)14-22-8-10-23-11-9-22/h1-7,12,20-21H,8-11,13-14H2 |
| InChIKey | KVQBQBZAXVTOLK-UHFFFAOYSA-N |
| XLogP | 2.77 |
| TPSA | 36.53 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 23 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 315.39 |
| LogP ≤ 5 | 2.77 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 1-[[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylhydrazine?
The IUPAC name of 1-[[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylhydrazine (CID 169385039) is 1-[[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylhydrazine.
What is the SMILES notation for 1-[[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylhydrazine?
The canonical SMILES for 1-[[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylhydrazine is Fc1ccc(CNNc2ccccc2)c(CN2CCOCC2)c1.
What is the InChIKey of 1-[[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylhydrazine?
The InChIKey is KVQBQBZAXVTOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O/c19-17-7-6-15(13-20-21-18-4-2-1-3-5-18)16(12-17)14-22-8-10-23-11-9-22/h1-7,12,20-21H,8-11,13-14H2.
What are the key properties of 1-[[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylhydrazine?
1-[[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylhydrazine has a molecular weight of 315.39 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylhydrazine is sourced from PubChem (CID 169385039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).