1-(4-methylphenyl)-N-(4-phenoxyphenyl)methanimine

C20H17NO — CID 5093158

IUPAC1-(4-methylphenyl)-N-(4-phenoxyphenyl)methanimine
SMILESCc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C20H17NO/c1-16-7-9-17(10-8-16)15-21-18-11-13-20(14-12-18)22-19-5-3-2-4-6-19/h2-15H,1H3/b21-15+
InChIKeyKGBAXAMKIKJYJV-RCCKNPSSSA-N
MW287.36 g/mol
LogP5.54
Rot. Bonds4

About 1-(4-methylphenyl)-N-(4-phenoxyphenyl)methanimine

1-(4-methylphenyl)-N-(4-phenoxyphenyl)methanimine (PubChem CID 5093158) has the molecular formula C20H17NO and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-(4-phenoxyphenyl)methanimine.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-(4-phenoxyphenyl)methanimine
PubChem CID5093158
Molecular FormulaC20H17NO
Molecular Weight287.36 g/mol
Exact Mass287.13
IUPAC Name1-(4-methylphenyl)-N-(4-phenoxyphenyl)methanimine
SMILESCc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C20H17NO/c1-16-7-9-17(10-8-16)15-21-18-11-13-20(14-12-18)22-19-5-3-2-4-6-19/h2-15H,1H3/b21-15+
InChIKeyKGBAXAMKIKJYJV-RCCKNPSSSA-N
XLogP5.54
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.36
LogP ≤ 55.54
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-methylphenyl)-N-(4-phenoxyphenyl)methanimine?
The IUPAC name of 1-(4-methylphenyl)-N-(4-phenoxyphenyl)methanimine (CID 5093158) is 1-(4-methylphenyl)-N-(4-phenoxyphenyl)methanimine.
What is the SMILES notation for 1-(4-methylphenyl)-N-(4-phenoxyphenyl)methanimine?
The canonical SMILES for 1-(4-methylphenyl)-N-(4-phenoxyphenyl)methanimine is Cc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-(4-phenoxyphenyl)methanimine?
The InChIKey is KGBAXAMKIKJYJV-RCCKNPSSSA-N. The full InChI is InChI=1S/C20H17NO/c1-16-7-9-17(10-8-16)15-21-18-11-13-20(14-12-18)22-19-5-3-2-4-6-19/h2-15H,1H3/b21-15+.
What are the key properties of 1-(4-methylphenyl)-N-(4-phenoxyphenyl)methanimine?
1-(4-methylphenyl)-N-(4-phenoxyphenyl)methanimine has a molecular weight of 287.36 g/mol, XLogP of 5.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-(4-phenoxyphenyl)methanimine is sourced from PubChem (CID 5093158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).