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

C18H18F2N2 — CID 19368938

IUPAC(E)-N-[(E)-(2,6-difluoro-4-methylphenyl)methylideneamino]-1-(4-propylphenyl)methanimine
SMILESCCCc1ccc(/C=N/N=C/c2c(F)cc(C)cc2F)cc1
InChIInChI=1S/C18H18F2N2/c1-3-4-14-5-7-15(8-6-14)11-21-22-12-16-17(19)9-13(2)10-18(16)20/h5-12H,3-4H2,1-2H3/b21-11+,22-12+
InChIKeyAJNFNNCXBPGAGQ-XHQRYOPUSA-N
MW300.35 g/mol
LogP4.68
Rot. Bonds5

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

(E)-N-[(E)-(2,6-difluoro-4-methylphenyl)methylideneamino]-1-(4-propylphenyl)methanimine (PubChem CID 19368938) has the molecular formula C18H18F2N2 and a molecular weight of 300.35 g/mol. Its IUPAC name is (E)-N-[(E)-(2,6-difluoro-4-methylphenyl)methylideneamino]-1-(4-propylphenyl)methanimine.

Molecular Properties

Compound Name(E)-N-[(E)-(2,6-difluoro-4-methylphenyl)methylideneamino]-1-(4-propylphenyl)methanimine
PubChem CID19368938
Molecular FormulaC18H18F2N2
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name(E)-N-[(E)-(2,6-difluoro-4-methylphenyl)methylideneamino]-1-(4-propylphenyl)methanimine
SMILESCCCc1ccc(/C=N/N=C/c2c(F)cc(C)cc2F)cc1
InChIInChI=1S/C18H18F2N2/c1-3-4-14-5-7-15(8-6-14)11-21-22-12-16-17(19)9-13(2)10-18(16)20/h5-12H,3-4H2,1-2H3/b21-11+,22-12+
InChIKeyAJNFNNCXBPGAGQ-XHQRYOPUSA-N
XLogP4.68
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 54.68
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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(E)-(2,6-difluoro-4-methylphenyl)methylideneamino]-1-(4-propylphenyl)methanimine?
The IUPAC name of (E)-N-[(E)-(2,6-difluoro-4-methylphenyl)methylideneamino]-1-(4-propylphenyl)methanimine (CID 19368938) is (E)-N-[(E)-(2,6-difluoro-4-methylphenyl)methylideneamino]-1-(4-propylphenyl)methanimine.
What is the SMILES notation for (E)-N-[(E)-(2,6-difluoro-4-methylphenyl)methylideneamino]-1-(4-propylphenyl)methanimine?
The canonical SMILES for (E)-N-[(E)-(2,6-difluoro-4-methylphenyl)methylideneamino]-1-(4-propylphenyl)methanimine is CCCc1ccc(/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-propylphenyl)methanimine?
The InChIKey is AJNFNNCXBPGAGQ-XHQRYOPUSA-N. The full InChI is InChI=1S/C18H18F2N2/c1-3-4-14-5-7-15(8-6-14)11-21-22-12-16-17(19)9-13(2)10-18(16)20/h5-12H,3-4H2,1-2H3/b21-11+,22-12+.
What are the key properties of (E)-N-[(E)-(2,6-difluoro-4-methylphenyl)methylideneamino]-1-(4-propylphenyl)methanimine?
(E)-N-[(E)-(2,6-difluoro-4-methylphenyl)methylideneamino]-1-(4-propylphenyl)methanimine has a molecular weight of 300.35 g/mol, XLogP of 4.68, 5 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-propylphenyl)methanimine is sourced from PubChem (CID 19368938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).