About N-(4-methylphenyl)-1-phenylmethanimine oxide
N-(4-methylphenyl)-1-phenylmethanimine oxide (PubChem CID 5386252) has the molecular formula C14H13NO
and a molecular weight of 211.26 g/mol. Its IUPAC name is N-(4-methylphenyl)-1-phenylmethanimine oxide.
Molecular Properties
| Compound Name | N-(4-methylphenyl)-1-phenylmethanimine oxide |
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| PubChem CID | 5386252 |
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| Molecular Formula | C14H13NO |
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| Molecular Weight | 211.26 g/mol |
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| Exact Mass | 211.10 |
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| IUPAC Name | N-(4-methylphenyl)-1-phenylmethanimine oxide |
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| SMILES | Cc1ccc(/[N+]([O-])=C/c2ccccc2)cc1 |
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| InChI | InChI=1S/C14H13NO/c1-12-7-9-14(10-8-12)15(16)11-13-5-3-2-4-6-13/h2-11H,1H3/b15-11- |
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| InChIKey | ZMHRQDZDFYMPOF-PTNGSMBKSA-N |
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| XLogP | 3.26 |
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| TPSA | 26.07 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 1 |
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| Rotatable Bonds | 2 |
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| Heavy Atoms | 16 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 211.26 |
| LogP ≤ 5 | 3.26 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-(4-methylphenyl)-1-phenylmethanimine oxide?
The IUPAC name of N-(4-methylphenyl)-1-phenylmethanimine oxide (CID 5386252) is N-(4-methylphenyl)-1-phenylmethanimine oxide.
What is the SMILES notation for N-(4-methylphenyl)-1-phenylmethanimine oxide?
The canonical SMILES for N-(4-methylphenyl)-1-phenylmethanimine oxide is Cc1ccc(/[N+]([O-])=C/c2ccccc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-1-phenylmethanimine oxide?
The InChIKey is ZMHRQDZDFYMPOF-PTNGSMBKSA-N. The full InChI is InChI=1S/C14H13NO/c1-12-7-9-14(10-8-12)15(16)11-13-5-3-2-4-6-13/h2-11H,1H3/b15-11-.
What are the key properties of N-(4-methylphenyl)-1-phenylmethanimine oxide?
N-(4-methylphenyl)-1-phenylmethanimine oxide has a molecular weight of 211.26 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-1-phenylmethanimine oxide is sourced from PubChem (CID 5386252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).