About 1-(2-methoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]methanimine
1-(2-methoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]methanimine (PubChem CID 10637187) has the molecular formula C20H19NO
and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]methanimine.
Molecular Properties
| Compound Name | 1-(2-methoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]methanimine |
| PubChem CID | 10637187 |
| Molecular Formula | C20H19NO |
| Molecular Weight | 289.38 g/mol |
| Exact Mass | 289.15 |
| IUPAC Name | 1-(2-methoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]methanimine |
| SMILES | COc1ccccc1/C=N/[C@H](C)c1cccc2ccccc12 |
| InChI | InChI=1S/C20H19NO/c1-15(21-14-17-9-4-6-13-20(17)22-2)18-12-7-10-16-8-3-5-11-19(16)18/h3-15H,1-2H3/b21-14+/t15-/m1/s1 |
| InChIKey | MMAWRWUMKOYNMA-HFITWMCCSA-N |
| XLogP | 5.03 |
| TPSA | 21.59 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 22 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 289.38 |
| LogP ≤ 5 | 5.03 |
| 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-(2-methoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]methanimine?
The IUPAC name of 1-(2-methoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]methanimine (CID 10637187) is 1-(2-methoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]methanimine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]methanimine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]methanimine is COc1ccccc1/C=N/[C@H](C)c1cccc2ccccc12.
What is the InChIKey of 1-(2-methoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]methanimine?
The InChIKey is MMAWRWUMKOYNMA-HFITWMCCSA-N. The full InChI is InChI=1S/C20H19NO/c1-15(21-14-17-9-4-6-13-20(17)22-2)18-12-7-10-16-8-3-5-11-19(16)18/h3-15H,1-2H3/b21-14+/t15-/m1/s1.
What are the key properties of 1-(2-methoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]methanimine?
1-(2-methoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]methanimine has a molecular weight of 289.38 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]methanimine is sourced from PubChem (CID 10637187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).