1-(4-chlorophenyl)-N-(4-ethoxyphenyl)methanimine

C15H14ClNO — CID 525682

IUPAC1-(4-chlorophenyl)-N-(4-ethoxyphenyl)methanimine
SMILESCCOc1ccc(/N=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H14ClNO/c1-2-18-15-9-7-14(8-10-15)17-11-12-3-5-13(16)6-4-12/h3-11H,2H2,1H3/b17-11+
InChIKeyVZUYGOJTZOHTOE-GZTJUZNOSA-N
MW259.74 g/mol
LogP4.49
Rot. Bonds4

About 1-(4-chlorophenyl)-N-(4-ethoxyphenyl)methanimine

1-(4-chlorophenyl)-N-(4-ethoxyphenyl)methanimine (PubChem CID 525682) has the molecular formula C15H14ClNO and a molecular weight of 259.74 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(4-ethoxyphenyl)methanimine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(4-ethoxyphenyl)methanimine
PubChem CID525682
Molecular FormulaC15H14ClNO
Molecular Weight259.74 g/mol
Exact Mass259.08
IUPAC Name1-(4-chlorophenyl)-N-(4-ethoxyphenyl)methanimine
SMILESCCOc1ccc(/N=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H14ClNO/c1-2-18-15-9-7-14(8-10-15)17-11-12-3-5-13(16)6-4-12/h3-11H,2H2,1H3/b17-11+
InChIKeyVZUYGOJTZOHTOE-GZTJUZNOSA-N
XLogP4.49
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-chlorophenyl)-N-(4-ethoxyphenyl)methanimine?
The IUPAC name of 1-(4-chlorophenyl)-N-(4-ethoxyphenyl)methanimine (CID 525682) is 1-(4-chlorophenyl)-N-(4-ethoxyphenyl)methanimine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(4-ethoxyphenyl)methanimine?
The canonical SMILES for 1-(4-chlorophenyl)-N-(4-ethoxyphenyl)methanimine is CCOc1ccc(/N=C/c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(4-ethoxyphenyl)methanimine?
The InChIKey is VZUYGOJTZOHTOE-GZTJUZNOSA-N. The full InChI is InChI=1S/C15H14ClNO/c1-2-18-15-9-7-14(8-10-15)17-11-12-3-5-13(16)6-4-12/h3-11H,2H2,1H3/b17-11+.
What are the key properties of 1-(4-chlorophenyl)-N-(4-ethoxyphenyl)methanimine?
1-(4-chlorophenyl)-N-(4-ethoxyphenyl)methanimine has a molecular weight of 259.74 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(4-ethoxyphenyl)methanimine is sourced from PubChem (CID 525682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).