1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)methanimine

C19H16ClNO2 — CID 23343844

IUPAC1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)methanimine
SMILESClc1ccc(COc2ccc(/C=N/Cc3ccco3)cc2)cc1
InChIInChI=1S/C19H16ClNO2/c20-17-7-3-16(4-8-17)14-23-18-9-5-15(6-10-18)12-21-13-19-2-1-11-22-19/h1-12H,13-14H2/b21-12+
InChIKeyVHVYWWMDWPMKPJ-CIAFOILYSA-N
MW325.80 g/mol
LogP5.13
Rot. Bonds6

About 1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)methanimine

1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)methanimine (PubChem CID 23343844) has the molecular formula C19H16ClNO2 and a molecular weight of 325.80 g/mol. Its IUPAC name is 1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)methanimine.

Molecular Properties

Compound Name1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)methanimine
PubChem CID23343844
Molecular FormulaC19H16ClNO2
Molecular Weight325.80 g/mol
Exact Mass325.09
IUPAC Name1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)methanimine
SMILESClc1ccc(COc2ccc(/C=N/Cc3ccco3)cc2)cc1
InChIInChI=1S/C19H16ClNO2/c20-17-7-3-16(4-8-17)14-23-18-9-5-15(6-10-18)12-21-13-19-2-1-11-22-19/h1-12H,13-14H2/b21-12+
InChIKeyVHVYWWMDWPMKPJ-CIAFOILYSA-N
XLogP5.13
TPSA34.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.80
LogP ≤ 55.13
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-[4-[(4-chlorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)methanimine?
The IUPAC name of 1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)methanimine (CID 23343844) is 1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)methanimine.
What is the SMILES notation for 1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)methanimine?
The canonical SMILES for 1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)methanimine is Clc1ccc(COc2ccc(/C=N/Cc3ccco3)cc2)cc1.
What is the InChIKey of 1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)methanimine?
The InChIKey is VHVYWWMDWPMKPJ-CIAFOILYSA-N. The full InChI is InChI=1S/C19H16ClNO2/c20-17-7-3-16(4-8-17)14-23-18-9-5-15(6-10-18)12-21-13-19-2-1-11-22-19/h1-12H,13-14H2/b21-12+.
What are the key properties of 1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)methanimine?
1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)methanimine has a molecular weight of 325.80 g/mol, XLogP of 5.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)methanimine is sourced from PubChem (CID 23343844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).