About N-[1-(3-phenylphenyl)ethyl]methanimine
N-[1-(3-phenylphenyl)ethyl]methanimine (PubChem CID 145073467) has the molecular formula C15H15N
and a molecular weight of 209.29 g/mol. Its IUPAC name is N-[1-(3-phenylphenyl)ethyl]methanimine.
Molecular Properties
| Compound Name | N-[1-(3-phenylphenyl)ethyl]methanimine |
| PubChem CID | 145073467 |
| Molecular Formula | C15H15N |
| Molecular Weight | 209.29 g/mol |
| Exact Mass | 209.12 |
| IUPAC Name | N-[1-(3-phenylphenyl)ethyl]methanimine |
| SMILES | C=NC(C)c1cccc(-c2ccccc2)c1 |
| InChI | InChI=1S/C15H15N/c1-12(16-2)14-9-6-10-15(11-14)13-7-4-3-5-8-13/h3-12H,2H2,1H3 |
| InChIKey | VYXGKWBZHTWILF-UHFFFAOYSA-N |
| XLogP | 4.12 |
| TPSA | 12.36 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 209.29 |
| LogP ≤ 5 | 4.12 |
| 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 N-[1-(3-phenylphenyl)ethyl]methanimine?
The IUPAC name of N-[1-(3-phenylphenyl)ethyl]methanimine (CID 145073467) is N-[1-(3-phenylphenyl)ethyl]methanimine.
What is the SMILES notation for N-[1-(3-phenylphenyl)ethyl]methanimine?
The canonical SMILES for N-[1-(3-phenylphenyl)ethyl]methanimine is C=NC(C)c1cccc(-c2ccccc2)c1.
What is the InChIKey of N-[1-(3-phenylphenyl)ethyl]methanimine?
The InChIKey is VYXGKWBZHTWILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N/c1-12(16-2)14-9-6-10-15(11-14)13-7-4-3-5-8-13/h3-12H,2H2,1H3.
What are the key properties of N-[1-(3-phenylphenyl)ethyl]methanimine?
N-[1-(3-phenylphenyl)ethyl]methanimine has a molecular weight of 209.29 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-phenylphenyl)ethyl]methanimine is sourced from PubChem (CID 145073467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).