(E)-N-[(E)-(2,6-difluoro-4-methylphenyl)methylideneamino]-1-(4-methylphenyl)methanimine

C16H14F2N2 — CID 19368335

IUPAC(E)-N-[(E)-(2,6-difluoro-4-methylphenyl)methylideneamino]-1-(4-methylphenyl)methanimine
SMILESCc1ccc(/C=N/N=C/c2c(F)cc(C)cc2F)cc1
InChIInChI=1S/C16H14F2N2/c1-11-3-5-13(6-4-11)9-19-20-10-14-15(17)7-12(2)8-16(14)18/h3-10H,1-2H3/b19-9+,20-10+
InChIKeyQYYGNZAKAORRSF-LQGKIZFRSA-N
MW272.30 g/mol
LogP4.03
Rot. Bonds3

About (E)-N-[(E)-(2,6-difluoro-4-methylphenyl)methylideneamino]-1-(4-methylphenyl)methanimine

(E)-N-[(E)-(2,6-difluoro-4-methylphenyl)methylideneamino]-1-(4-methylphenyl)methanimine (PubChem CID 19368335) has the molecular formula C16H14F2N2 and a molecular weight of 272.30 g/mol. Its IUPAC name is (E)-N-[(E)-(2,6-difluoro-4-methylphenyl)methylideneamino]-1-(4-methylphenyl)methanimine.

Molecular Properties

Compound Name(E)-N-[(E)-(2,6-difluoro-4-methylphenyl)methylideneamino]-1-(4-methylphenyl)methanimine
PubChem CID19368335
Molecular FormulaC16H14F2N2
Molecular Weight272.30 g/mol
Exact Mass272.11
IUPAC Name(E)-N-[(E)-(2,6-difluoro-4-methylphenyl)methylideneamino]-1-(4-methylphenyl)methanimine
SMILESCc1ccc(/C=N/N=C/c2c(F)cc(C)cc2F)cc1
InChIInChI=1S/C16H14F2N2/c1-11-3-5-13(6-4-11)9-19-20-10-14-15(17)7-12(2)8-16(14)18/h3-10H,1-2H3/b19-9+,20-10+
InChIKeyQYYGNZAKAORRSF-LQGKIZFRSA-N
XLogP4.03
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-N-[(E)-(2,6-difluoro-4-methylphenyl)methylideneamino]-1-(4-methylphenyl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(E)-(2,6-difluoro-4-methylphenyl)methylideneamino]-1-(4-methylphenyl)methanimine?
The IUPAC name of (E)-N-[(E)-(2,6-difluoro-4-methylphenyl)methylideneamino]-1-(4-methylphenyl)methanimine (CID 19368335) is (E)-N-[(E)-(2,6-difluoro-4-methylphenyl)methylideneamino]-1-(4-methylphenyl)methanimine.
What is the SMILES notation for (E)-N-[(E)-(2,6-difluoro-4-methylphenyl)methylideneamino]-1-(4-methylphenyl)methanimine?
The canonical SMILES for (E)-N-[(E)-(2,6-difluoro-4-methylphenyl)methylideneamino]-1-(4-methylphenyl)methanimine is Cc1ccc(/C=N/N=C/c2c(F)cc(C)cc2F)cc1.
What is the InChIKey of (E)-N-[(E)-(2,6-difluoro-4-methylphenyl)methylideneamino]-1-(4-methylphenyl)methanimine?
The InChIKey is QYYGNZAKAORRSF-LQGKIZFRSA-N. The full InChI is InChI=1S/C16H14F2N2/c1-11-3-5-13(6-4-11)9-19-20-10-14-15(17)7-12(2)8-16(14)18/h3-10H,1-2H3/b19-9+,20-10+.
What are the key properties of (E)-N-[(E)-(2,6-difluoro-4-methylphenyl)methylideneamino]-1-(4-methylphenyl)methanimine?
(E)-N-[(E)-(2,6-difluoro-4-methylphenyl)methylideneamino]-1-(4-methylphenyl)methanimine has a molecular weight of 272.30 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-(2,6-difluoro-4-methylphenyl)methylideneamino]-1-(4-methylphenyl)methanimine is sourced from PubChem (CID 19368335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).