About 1-phenyl-N-(2-phenylethyl)methanimine
1-phenyl-N-(2-phenylethyl)methanimine (PubChem CID 576350) has the molecular formula C15H15N
and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-phenyl-N-(2-phenylethyl)methanimine.
Molecular Properties
| Compound Name | 1-phenyl-N-(2-phenylethyl)methanimine |
| PubChem CID | 576350 |
| Molecular Formula | C15H15N |
| Molecular Weight | 209.29 g/mol |
| Exact Mass | 209.12 |
| IUPAC Name | 1-phenyl-N-(2-phenylethyl)methanimine |
| SMILES | C(=N/CCc1ccccc1)\c1ccccc1 |
| InChI | InChI=1S/C15H15N/c1-3-7-14(8-4-1)11-12-16-13-15-9-5-2-6-10-15/h1-10,13H,11-12H2/b16-13+ |
| InChIKey | OOBAKFDIGIHHOM-DTQAZKPQSA-N |
| XLogP | 3.35 |
| TPSA | 12.36 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 209.29 |
| LogP ≤ 5 | 3.35 |
| 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-phenyl-N-(2-phenylethyl)methanimine?
The IUPAC name of 1-phenyl-N-(2-phenylethyl)methanimine (CID 576350) is 1-phenyl-N-(2-phenylethyl)methanimine.
What is the SMILES notation for 1-phenyl-N-(2-phenylethyl)methanimine?
The canonical SMILES for 1-phenyl-N-(2-phenylethyl)methanimine is C(=N/CCc1ccccc1)\c1ccccc1.
What is the InChIKey of 1-phenyl-N-(2-phenylethyl)methanimine?
The InChIKey is OOBAKFDIGIHHOM-DTQAZKPQSA-N. The full InChI is InChI=1S/C15H15N/c1-3-7-14(8-4-1)11-12-16-13-15-9-5-2-6-10-15/h1-10,13H,11-12H2/b16-13+.
What are the key properties of 1-phenyl-N-(2-phenylethyl)methanimine?
1-phenyl-N-(2-phenylethyl)methanimine has a molecular weight of 209.29 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(2-phenylethyl)methanimine is sourced from PubChem (CID 576350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).