1-(2,5-dimethylfuran-3-yl)-N-(4-phenoxyphenyl)methanimine

C19H17NO2 — CID 956036

IUPAC1-(2,5-dimethylfuran-3-yl)-N-(4-phenoxyphenyl)methanimine
SMILESCc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)c(C)o1
InChIInChI=1S/C19H17NO2/c1-14-12-16(15(2)21-14)13-20-17-8-10-19(11-9-17)22-18-6-4-3-5-7-18/h3-13H,1-2H3/b20-13+
InChIKeyAPXQWYKEUWQBEF-DEDYPNTBSA-N
MW291.35 g/mol
LogP5.44
Rot. Bonds4

About 1-(2,5-dimethylfuran-3-yl)-N-(4-phenoxyphenyl)methanimine

1-(2,5-dimethylfuran-3-yl)-N-(4-phenoxyphenyl)methanimine (PubChem CID 956036) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-(2,5-dimethylfuran-3-yl)-N-(4-phenoxyphenyl)methanimine.

Molecular Properties

Compound Name1-(2,5-dimethylfuran-3-yl)-N-(4-phenoxyphenyl)methanimine
PubChem CID956036
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name1-(2,5-dimethylfuran-3-yl)-N-(4-phenoxyphenyl)methanimine
SMILESCc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)c(C)o1
InChIInChI=1S/C19H17NO2/c1-14-12-16(15(2)21-14)13-20-17-8-10-19(11-9-17)22-18-6-4-3-5-7-18/h3-13H,1-2H3/b20-13+
InChIKeyAPXQWYKEUWQBEF-DEDYPNTBSA-N
XLogP5.44
TPSA34.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.35
LogP ≤ 55.44
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-phenoxyphenyl)methanimine?
The IUPAC name of 1-(2,5-dimethylfuran-3-yl)-N-(4-phenoxyphenyl)methanimine (CID 956036) is 1-(2,5-dimethylfuran-3-yl)-N-(4-phenoxyphenyl)methanimine.
What is the SMILES notation for 1-(2,5-dimethylfuran-3-yl)-N-(4-phenoxyphenyl)methanimine?
The canonical SMILES for 1-(2,5-dimethylfuran-3-yl)-N-(4-phenoxyphenyl)methanimine is Cc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)c(C)o1.
What is the InChIKey of 1-(2,5-dimethylfuran-3-yl)-N-(4-phenoxyphenyl)methanimine?
The InChIKey is APXQWYKEUWQBEF-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H17NO2/c1-14-12-16(15(2)21-14)13-20-17-8-10-19(11-9-17)22-18-6-4-3-5-7-18/h3-13H,1-2H3/b20-13+.
What are the key properties of 1-(2,5-dimethylfuran-3-yl)-N-(4-phenoxyphenyl)methanimine?
1-(2,5-dimethylfuran-3-yl)-N-(4-phenoxyphenyl)methanimine has a molecular weight of 291.35 g/mol, XLogP of 5.44, 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-phenoxyphenyl)methanimine is sourced from PubChem (CID 956036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).