1-(4-methylphenyl)-N-[4-[(E)-2-phenylethenyl]phenyl]methanimine

C22H19N — CID 102429934

IUPAC1-(4-methylphenyl)-N-[4-[(E)-2-phenylethenyl]phenyl]methanimine
SMILESCc1ccc(/C=N/c2ccc(/C=C/c3ccccc3)cc2)cc1
InChIInChI=1S/C22H19N/c1-18-7-9-21(10-8-18)17-23-22-15-13-20(14-16-22)12-11-19-5-3-2-4-6-19/h2-17H,1H3/b12-11+,23-17+
InChIKeyILGANEIJDFKDIW-ADSQIOCHSA-N
MW297.40 g/mol
LogP5.92
Rot. Bonds4

About 1-(4-methylphenyl)-N-[4-[(E)-2-phenylethenyl]phenyl]methanimine

1-(4-methylphenyl)-N-[4-[(E)-2-phenylethenyl]phenyl]methanimine (PubChem CID 102429934) has the molecular formula C22H19N and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-[4-[(E)-2-phenylethenyl]phenyl]methanimine.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-[4-[(E)-2-phenylethenyl]phenyl]methanimine
PubChem CID102429934
Molecular FormulaC22H19N
Molecular Weight297.40 g/mol
Exact Mass297.15
IUPAC Name1-(4-methylphenyl)-N-[4-[(E)-2-phenylethenyl]phenyl]methanimine
SMILESCc1ccc(/C=N/c2ccc(/C=C/c3ccccc3)cc2)cc1
InChIInChI=1S/C22H19N/c1-18-7-9-21(10-8-18)17-23-22-15-13-20(14-16-22)12-11-19-5-3-2-4-6-19/h2-17H,1H3/b12-11+,23-17+
InChIKeyILGANEIJDFKDIW-ADSQIOCHSA-N
XLogP5.92
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.40
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-[4-[(E)-2-phenylethenyl]phenyl]methanimine?
The IUPAC name of 1-(4-methylphenyl)-N-[4-[(E)-2-phenylethenyl]phenyl]methanimine (CID 102429934) is 1-(4-methylphenyl)-N-[4-[(E)-2-phenylethenyl]phenyl]methanimine.
What is the SMILES notation for 1-(4-methylphenyl)-N-[4-[(E)-2-phenylethenyl]phenyl]methanimine?
The canonical SMILES for 1-(4-methylphenyl)-N-[4-[(E)-2-phenylethenyl]phenyl]methanimine is Cc1ccc(/C=N/c2ccc(/C=C/c3ccccc3)cc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-[4-[(E)-2-phenylethenyl]phenyl]methanimine?
The InChIKey is ILGANEIJDFKDIW-ADSQIOCHSA-N. The full InChI is InChI=1S/C22H19N/c1-18-7-9-21(10-8-18)17-23-22-15-13-20(14-16-22)12-11-19-5-3-2-4-6-19/h2-17H,1H3/b12-11+,23-17+.
What are the key properties of 1-(4-methylphenyl)-N-[4-[(E)-2-phenylethenyl]phenyl]methanimine?
1-(4-methylphenyl)-N-[4-[(E)-2-phenylethenyl]phenyl]methanimine has a molecular weight of 297.40 g/mol, XLogP of 5.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-[4-[(E)-2-phenylethenyl]phenyl]methanimine is sourced from PubChem (CID 102429934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).