About 1-(2-ethenylphenyl)-N-(2-methylphenyl)methanimine
1-(2-ethenylphenyl)-N-(2-methylphenyl)methanimine (PubChem CID 145489460) has the molecular formula C16H15N
and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(2-ethenylphenyl)-N-(2-methylphenyl)methanimine.
Molecular Properties
| Compound Name | 1-(2-ethenylphenyl)-N-(2-methylphenyl)methanimine |
| PubChem CID | 145489460 |
| Molecular Formula | C16H15N |
| Molecular Weight | 221.30 g/mol |
| Exact Mass | 221.12 |
| IUPAC Name | 1-(2-ethenylphenyl)-N-(2-methylphenyl)methanimine |
| SMILES | C=Cc1ccccc1/C=N/c1ccccc1C |
| InChI | InChI=1S/C16H15N/c1-3-14-9-5-6-10-15(14)12-17-16-11-7-4-8-13(16)2/h3-12H,1H2,2H3/b17-12+ |
| InChIKey | BXRDQHKJEGJVOP-SFQUDFHCSA-N |
| XLogP | 4.39 |
| TPSA | 12.36 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 221.30 |
| LogP ≤ 5 | 4.39 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
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 1-(2-ethenylphenyl)-N-(2-methylphenyl)methanimine?
The IUPAC name of 1-(2-ethenylphenyl)-N-(2-methylphenyl)methanimine (CID 145489460) is 1-(2-ethenylphenyl)-N-(2-methylphenyl)methanimine.
What is the SMILES notation for 1-(2-ethenylphenyl)-N-(2-methylphenyl)methanimine?
The canonical SMILES for 1-(2-ethenylphenyl)-N-(2-methylphenyl)methanimine is C=Cc1ccccc1/C=N/c1ccccc1C.
What is the InChIKey of 1-(2-ethenylphenyl)-N-(2-methylphenyl)methanimine?
The InChIKey is BXRDQHKJEGJVOP-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H15N/c1-3-14-9-5-6-10-15(14)12-17-16-11-7-4-8-13(16)2/h3-12H,1H2,2H3/b17-12+.
What are the key properties of 1-(2-ethenylphenyl)-N-(2-methylphenyl)methanimine?
1-(2-ethenylphenyl)-N-(2-methylphenyl)methanimine has a molecular weight of 221.30 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenylphenyl)-N-(2-methylphenyl)methanimine is sourced from PubChem (CID 145489460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).