About N-methoxy-1-(4-methoxyphenyl)methanimine
N-methoxy-1-(4-methoxyphenyl)methanimine (PubChem CID 520640) has the molecular formula C9H11NO2
and a molecular weight of 165.19 g/mol. Its IUPAC name is N-methoxy-1-(4-methoxyphenyl)methanimine.
Molecular Properties
| Compound Name | N-methoxy-1-(4-methoxyphenyl)methanimine |
| PubChem CID | 520640 |
| Molecular Formula | C9H11NO2 |
| Molecular Weight | 165.19 g/mol |
| Exact Mass | 165.08 |
| IUPAC Name | N-methoxy-1-(4-methoxyphenyl)methanimine |
| SMILES | CON=Cc1ccc(OC)cc1 |
| InChI | InChI=1S/C9H11NO2/c1-11-9-5-3-8(4-6-9)7-10-12-2/h3-7H,1-2H3 |
| InChIKey | FRLGNZPYLCIAQC-UHFFFAOYSA-N |
| XLogP | 1.68 |
| TPSA | 30.82 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 12 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 165.19 |
| LogP ≤ 5 | 1.68 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-methoxy-1-(4-methoxyphenyl)methanimine?
The IUPAC name of N-methoxy-1-(4-methoxyphenyl)methanimine (CID 520640) is N-methoxy-1-(4-methoxyphenyl)methanimine.
What is the SMILES notation for N-methoxy-1-(4-methoxyphenyl)methanimine?
The canonical SMILES for N-methoxy-1-(4-methoxyphenyl)methanimine is CON=Cc1ccc(OC)cc1.
What is the InChIKey of N-methoxy-1-(4-methoxyphenyl)methanimine?
The InChIKey is FRLGNZPYLCIAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-11-9-5-3-8(4-6-9)7-10-12-2/h3-7H,1-2H3.
What are the key properties of N-methoxy-1-(4-methoxyphenyl)methanimine?
N-methoxy-1-(4-methoxyphenyl)methanimine has a molecular weight of 165.19 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-(4-methoxyphenyl)methanimine is sourced from PubChem (CID 520640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).