About 1-phenyl-N-[(1R)-1-phenylethyl]-1-pyridin-2-ylmethanimine
1-phenyl-N-[(1R)-1-phenylethyl]-1-pyridin-2-ylmethanimine (PubChem CID 102238244) has the molecular formula C20H18N2
and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-phenyl-N-[(1R)-1-phenylethyl]-1-pyridin-2-ylmethanimine.
Molecular Properties
| Compound Name | 1-phenyl-N-[(1R)-1-phenylethyl]-1-pyridin-2-ylmethanimine |
| PubChem CID | 102238244 |
| Molecular Formula | C20H18N2 |
| Molecular Weight | 286.38 g/mol |
| Exact Mass | 286.15 |
| IUPAC Name | 1-phenyl-N-[(1R)-1-phenylethyl]-1-pyridin-2-ylmethanimine |
| SMILES | C[C@@H](/N=C(\c1ccccc1)c1ccccn1)c1ccccc1 |
| InChI | InChI=1S/C20H18N2/c1-16(17-10-4-2-5-11-17)22-20(18-12-6-3-7-13-18)19-14-8-9-15-21-19/h2-16H,1H3/b22-20+/t16-/m1/s1 |
| InChIKey | UMKAUJKZHOSUBC-UMIVRTMYSA-N |
| XLogP | 4.68 |
| TPSA | 25.25 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 22 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 286.38 |
| LogP ≤ 5 | 4.68 |
| 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 1-phenyl-N-[(1R)-1-phenylethyl]-1-pyridin-2-ylmethanimine?
The IUPAC name of 1-phenyl-N-[(1R)-1-phenylethyl]-1-pyridin-2-ylmethanimine (CID 102238244) is 1-phenyl-N-[(1R)-1-phenylethyl]-1-pyridin-2-ylmethanimine.
What is the SMILES notation for 1-phenyl-N-[(1R)-1-phenylethyl]-1-pyridin-2-ylmethanimine?
The canonical SMILES for 1-phenyl-N-[(1R)-1-phenylethyl]-1-pyridin-2-ylmethanimine is C[C@@H](/N=C(\c1ccccc1)c1ccccn1)c1ccccc1.
What is the InChIKey of 1-phenyl-N-[(1R)-1-phenylethyl]-1-pyridin-2-ylmethanimine?
The InChIKey is UMKAUJKZHOSUBC-UMIVRTMYSA-N. The full InChI is InChI=1S/C20H18N2/c1-16(17-10-4-2-5-11-17)22-20(18-12-6-3-7-13-18)19-14-8-9-15-21-19/h2-16H,1H3/b22-20+/t16-/m1/s1.
What are the key properties of 1-phenyl-N-[(1R)-1-phenylethyl]-1-pyridin-2-ylmethanimine?
1-phenyl-N-[(1R)-1-phenylethyl]-1-pyridin-2-ylmethanimine has a molecular weight of 286.38 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(1R)-1-phenylethyl]-1-pyridin-2-ylmethanimine is sourced from PubChem (CID 102238244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).