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

C22H19NO — CID 628676

IUPAC1-(4-methoxyphenyl)-N-[4-(2-phenylethenyl)phenyl]methanimine
SMILESCOc1ccc(/C=N/c2ccc(C=Cc3ccccc3)cc2)cc1
InChIInChI=1S/C22H19NO/c1-24-22-15-11-20(12-16-22)17-23-21-13-9-19(10-14-21)8-7-18-5-3-2-4-6-18/h2-17H,1H3/b8-7?,23-17+
InChIKeyAMWLHYSTQXHJRQ-DLGHEVKOSA-N
MW313.40 g/mol
LogP5.62
Rot. Bonds5

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

1-(4-methoxyphenyl)-N-[4-(2-phenylethenyl)phenyl]methanimine (PubChem CID 628676) has the molecular formula C22H19NO and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[4-(2-phenylethenyl)phenyl]methanimine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[4-(2-phenylethenyl)phenyl]methanimine
PubChem CID628676
Molecular FormulaC22H19NO
Molecular Weight313.40 g/mol
Exact Mass313.15
IUPAC Name1-(4-methoxyphenyl)-N-[4-(2-phenylethenyl)phenyl]methanimine
SMILESCOc1ccc(/C=N/c2ccc(C=Cc3ccccc3)cc2)cc1
InChIInChI=1S/C22H19NO/c1-24-22-15-11-20(12-16-22)17-23-21-13-9-19(10-14-21)8-7-18-5-3-2-4-6-18/h2-17H,1H3/b8-7?,23-17+
InChIKeyAMWLHYSTQXHJRQ-DLGHEVKOSA-N
XLogP5.62
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.40
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methoxyphenyl)-N-[4-(2-phenylethenyl)phenyl]methanimine?
The IUPAC name of 1-(4-methoxyphenyl)-N-[4-(2-phenylethenyl)phenyl]methanimine (CID 628676) is 1-(4-methoxyphenyl)-N-[4-(2-phenylethenyl)phenyl]methanimine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[4-(2-phenylethenyl)phenyl]methanimine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[4-(2-phenylethenyl)phenyl]methanimine is COc1ccc(/C=N/c2ccc(C=Cc3ccccc3)cc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[4-(2-phenylethenyl)phenyl]methanimine?
The InChIKey is AMWLHYSTQXHJRQ-DLGHEVKOSA-N. The full InChI is InChI=1S/C22H19NO/c1-24-22-15-11-20(12-16-22)17-23-21-13-9-19(10-14-21)8-7-18-5-3-2-4-6-18/h2-17H,1H3/b8-7?,23-17+.
What are the key properties of 1-(4-methoxyphenyl)-N-[4-(2-phenylethenyl)phenyl]methanimine?
1-(4-methoxyphenyl)-N-[4-(2-phenylethenyl)phenyl]methanimine has a molecular weight of 313.40 g/mol, XLogP of 5.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[4-(2-phenylethenyl)phenyl]methanimine is sourced from PubChem (CID 628676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).