1-[6-(4-fluorophenoxy)-3-pyridinyl]-N-[(2-methylphenyl)methoxy]methanimine

C20H17FN2O2 — CID 3784688

IUPAC1-[6-(4-fluorophenoxy)-3-pyridinyl]-N-[(2-methylphenyl)methoxy]methanimine
SMILESCc1ccccc1CON=Cc1ccc(Oc2ccc(F)cc2)nc1
InChIInChI=1S/C20H17FN2O2/c1-15-4-2-3-5-17(15)14-24-23-13-16-6-11-20(22-12-16)25-19-9-7-18(21)8-10-19/h2-13H,14H2,1H3
InChIKeyCCMHKSOISYLLKX-UHFFFAOYSA-N
MW336.37 g/mol
LogP4.87
Rot. Bonds6

About 1-[6-(4-fluorophenoxy)-3-pyridinyl]-N-[(2-methylphenyl)methoxy]methanimine

1-[6-(4-fluorophenoxy)-3-pyridinyl]-N-[(2-methylphenyl)methoxy]methanimine (PubChem CID 3784688) has the molecular formula C20H17FN2O2 and a molecular weight of 336.37 g/mol. Its IUPAC name is 1-[6-(4-fluorophenoxy)-3-pyridinyl]-N-[(2-methylphenyl)methoxy]methanimine.

Molecular Properties

Compound Name1-[6-(4-fluorophenoxy)-3-pyridinyl]-N-[(2-methylphenyl)methoxy]methanimine
PubChem CID3784688
Molecular FormulaC20H17FN2O2
Molecular Weight336.37 g/mol
Exact Mass336.13
IUPAC Name1-[6-(4-fluorophenoxy)-3-pyridinyl]-N-[(2-methylphenyl)methoxy]methanimine
SMILESCc1ccccc1CON=Cc1ccc(Oc2ccc(F)cc2)nc1
InChIInChI=1S/C20H17FN2O2/c1-15-4-2-3-5-17(15)14-24-23-13-16-6-11-20(22-12-16)25-19-9-7-18(21)8-10-19/h2-13H,14H2,1H3
InChIKeyCCMHKSOISYLLKX-UHFFFAOYSA-N
XLogP4.87
TPSA43.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 1-[6-(4-fluorophenoxy)-3-pyridinyl]-N-[(2-methylphenyl)methoxy]methanimine?
The IUPAC name of 1-[6-(4-fluorophenoxy)-3-pyridinyl]-N-[(2-methylphenyl)methoxy]methanimine (CID 3784688) is 1-[6-(4-fluorophenoxy)-3-pyridinyl]-N-[(2-methylphenyl)methoxy]methanimine.
What is the SMILES notation for 1-[6-(4-fluorophenoxy)-3-pyridinyl]-N-[(2-methylphenyl)methoxy]methanimine?
The canonical SMILES for 1-[6-(4-fluorophenoxy)-3-pyridinyl]-N-[(2-methylphenyl)methoxy]methanimine is Cc1ccccc1CON=Cc1ccc(Oc2ccc(F)cc2)nc1.
What is the InChIKey of 1-[6-(4-fluorophenoxy)-3-pyridinyl]-N-[(2-methylphenyl)methoxy]methanimine?
The InChIKey is CCMHKSOISYLLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O2/c1-15-4-2-3-5-17(15)14-24-23-13-16-6-11-20(22-12-16)25-19-9-7-18(21)8-10-19/h2-13H,14H2,1H3.
What are the key properties of 1-[6-(4-fluorophenoxy)-3-pyridinyl]-N-[(2-methylphenyl)methoxy]methanimine?
1-[6-(4-fluorophenoxy)-3-pyridinyl]-N-[(2-methylphenyl)methoxy]methanimine has a molecular weight of 336.37 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-fluorophenoxy)-3-pyridinyl]-N-[(2-methylphenyl)methoxy]methanimine is sourced from PubChem (CID 3784688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).