1-(2,5-dimethylfuran-3-yl)-N-[4-(4-methylphenoxy)phenyl]methanimine

C20H19NO2 — CID 956039

IUPAC1-(2,5-dimethylfuran-3-yl)-N-[4-(4-methylphenoxy)phenyl]methanimine
SMILESCc1ccc(Oc2ccc(/N=C/c3cc(C)oc3C)cc2)cc1
InChIInChI=1S/C20H19NO2/c1-14-4-8-19(9-5-14)23-20-10-6-18(7-11-20)21-13-17-12-15(2)22-16(17)3/h4-13H,1-3H3/b21-13+
InChIKeyVPJIUTOLYMUAAF-FYJGNVAPSA-N
MW305.38 g/mol
LogP5.75
Rot. Bonds4

About 1-(2,5-dimethylfuran-3-yl)-N-[4-(4-methylphenoxy)phenyl]methanimine

1-(2,5-dimethylfuran-3-yl)-N-[4-(4-methylphenoxy)phenyl]methanimine (PubChem CID 956039) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-(2,5-dimethylfuran-3-yl)-N-[4-(4-methylphenoxy)phenyl]methanimine.

Molecular Properties

Compound Name1-(2,5-dimethylfuran-3-yl)-N-[4-(4-methylphenoxy)phenyl]methanimine
PubChem CID956039
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name1-(2,5-dimethylfuran-3-yl)-N-[4-(4-methylphenoxy)phenyl]methanimine
SMILESCc1ccc(Oc2ccc(/N=C/c3cc(C)oc3C)cc2)cc1
InChIInChI=1S/C20H19NO2/c1-14-4-8-19(9-5-14)23-20-10-6-18(7-11-20)21-13-17-12-15(2)22-16(17)3/h4-13H,1-3H3/b21-13+
InChIKeyVPJIUTOLYMUAAF-FYJGNVAPSA-N
XLogP5.75
TPSA34.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.38
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2,5-dimethylfuran-3-yl)-N-[4-(4-methylphenoxy)phenyl]methanimine?
The IUPAC name of 1-(2,5-dimethylfuran-3-yl)-N-[4-(4-methylphenoxy)phenyl]methanimine (CID 956039) is 1-(2,5-dimethylfuran-3-yl)-N-[4-(4-methylphenoxy)phenyl]methanimine.
What is the SMILES notation for 1-(2,5-dimethylfuran-3-yl)-N-[4-(4-methylphenoxy)phenyl]methanimine?
The canonical SMILES for 1-(2,5-dimethylfuran-3-yl)-N-[4-(4-methylphenoxy)phenyl]methanimine is Cc1ccc(Oc2ccc(/N=C/c3cc(C)oc3C)cc2)cc1.
What is the InChIKey of 1-(2,5-dimethylfuran-3-yl)-N-[4-(4-methylphenoxy)phenyl]methanimine?
The InChIKey is VPJIUTOLYMUAAF-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H19NO2/c1-14-4-8-19(9-5-14)23-20-10-6-18(7-11-20)21-13-17-12-15(2)22-16(17)3/h4-13H,1-3H3/b21-13+.
What are the key properties of 1-(2,5-dimethylfuran-3-yl)-N-[4-(4-methylphenoxy)phenyl]methanimine?
1-(2,5-dimethylfuran-3-yl)-N-[4-(4-methylphenoxy)phenyl]methanimine has a molecular weight of 305.38 g/mol, XLogP of 5.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylfuran-3-yl)-N-[4-(4-methylphenoxy)phenyl]methanimine is sourced from PubChem (CID 956039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).