About N-(3-methoxyphenyl)-1-(3-methylphenyl)methanimine
N-(3-methoxyphenyl)-1-(3-methylphenyl)methanimine (PubChem CID 86728778) has the molecular formula C15H15NO
and a molecular weight of 225.29 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-1-(3-methylphenyl)methanimine.
Molecular Properties
| Compound Name | N-(3-methoxyphenyl)-1-(3-methylphenyl)methanimine |
| PubChem CID | 86728778 |
| Molecular Formula | C15H15NO |
| Molecular Weight | 225.29 g/mol |
| Exact Mass | 225.12 |
| IUPAC Name | N-(3-methoxyphenyl)-1-(3-methylphenyl)methanimine |
| SMILES | COc1cccc(/N=C/c2cccc(C)c2)c1 |
| InChI | InChI=1S/C15H15NO/c1-12-5-3-6-13(9-12)11-16-14-7-4-8-15(10-14)17-2/h3-11H,1-2H3/b16-11+ |
| InChIKey | IGLABAQRUBYZSY-LFIBNONCSA-N |
| XLogP | 3.75 |
| TPSA | 21.59 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 225.29 |
| LogP ≤ 5 | 3.75 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-(3-methoxyphenyl)-1-(3-methylphenyl)methanimine?
The IUPAC name of N-(3-methoxyphenyl)-1-(3-methylphenyl)methanimine (CID 86728778) is N-(3-methoxyphenyl)-1-(3-methylphenyl)methanimine.
What is the SMILES notation for N-(3-methoxyphenyl)-1-(3-methylphenyl)methanimine?
The canonical SMILES for N-(3-methoxyphenyl)-1-(3-methylphenyl)methanimine is COc1cccc(/N=C/c2cccc(C)c2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-1-(3-methylphenyl)methanimine?
The InChIKey is IGLABAQRUBYZSY-LFIBNONCSA-N. The full InChI is InChI=1S/C15H15NO/c1-12-5-3-6-13(9-12)11-16-14-7-4-8-15(10-14)17-2/h3-11H,1-2H3/b16-11+.
What are the key properties of N-(3-methoxyphenyl)-1-(3-methylphenyl)methanimine?
N-(3-methoxyphenyl)-1-(3-methylphenyl)methanimine has a molecular weight of 225.29 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-1-(3-methylphenyl)methanimine is sourced from PubChem (CID 86728778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).