About N-naphthalen-1-yl-1-(2-phenylmethoxyphenyl)methanimine
N-naphthalen-1-yl-1-(2-phenylmethoxyphenyl)methanimine (PubChem CID 4644937) has the molecular formula C24H19NO
and a molecular weight of 337.42 g/mol. Its IUPAC name is N-naphthalen-1-yl-1-(2-phenylmethoxyphenyl)methanimine.
Molecular Properties
| Compound Name | N-naphthalen-1-yl-1-(2-phenylmethoxyphenyl)methanimine |
| PubChem CID | 4644937 |
| Molecular Formula | C24H19NO |
| Molecular Weight | 337.42 g/mol |
| Exact Mass | 337.15 |
| IUPAC Name | N-naphthalen-1-yl-1-(2-phenylmethoxyphenyl)methanimine |
| SMILES | C(=N/c1cccc2ccccc12)\c1ccccc1OCc1ccccc1 |
| InChI | InChI=1S/C24H19NO/c1-2-9-19(10-3-1)18-26-24-16-7-5-12-21(24)17-25-23-15-8-13-20-11-4-6-14-22(20)23/h1-17H,18H2/b25-17+ |
| InChIKey | NZUOBLGOAPUBNH-KOEQRZSOSA-N |
| XLogP | 6.17 |
| TPSA | 21.59 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 26 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 337.42 |
| LogP ≤ 5 | 6.17 |
| 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-naphthalen-1-yl-1-(2-phenylmethoxyphenyl)methanimine?
The IUPAC name of N-naphthalen-1-yl-1-(2-phenylmethoxyphenyl)methanimine (CID 4644937) is N-naphthalen-1-yl-1-(2-phenylmethoxyphenyl)methanimine.
What is the SMILES notation for N-naphthalen-1-yl-1-(2-phenylmethoxyphenyl)methanimine?
The canonical SMILES for N-naphthalen-1-yl-1-(2-phenylmethoxyphenyl)methanimine is C(=N/c1cccc2ccccc12)\c1ccccc1OCc1ccccc1.
What is the InChIKey of N-naphthalen-1-yl-1-(2-phenylmethoxyphenyl)methanimine?
The InChIKey is NZUOBLGOAPUBNH-KOEQRZSOSA-N. The full InChI is InChI=1S/C24H19NO/c1-2-9-19(10-3-1)18-26-24-16-7-5-12-21(24)17-25-23-15-8-13-20-11-4-6-14-22(20)23/h1-17H,18H2/b25-17+.
What are the key properties of N-naphthalen-1-yl-1-(2-phenylmethoxyphenyl)methanimine?
N-naphthalen-1-yl-1-(2-phenylmethoxyphenyl)methanimine has a molecular weight of 337.42 g/mol, XLogP of 6.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-1-(2-phenylmethoxyphenyl)methanimine is sourced from PubChem (CID 4644937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).