(E)-N-[(E)-(4-ethyl-3,5-difluorophenyl)methylideneamino]-1-(4-ethylphenyl)methanimine

C18H18F2N2 — CID 19368686

IUPAC(E)-N-[(E)-(4-ethyl-3,5-difluorophenyl)methylideneamino]-1-(4-ethylphenyl)methanimine
SMILESCCc1ccc(/C=N/N=C/c2cc(F)c(CC)c(F)c2)cc1
InChIInChI=1S/C18H18F2N2/c1-3-13-5-7-14(8-6-13)11-21-22-12-15-9-17(19)16(4-2)18(20)10-15/h5-12H,3-4H2,1-2H3/b21-11+,22-12+
InChIKeyAOSVCFWUCAJRLM-XHQRYOPUSA-N
MW300.35 g/mol
LogP4.54
Rot. Bonds5

About (E)-N-[(E)-(4-ethyl-3,5-difluorophenyl)methylideneamino]-1-(4-ethylphenyl)methanimine

(E)-N-[(E)-(4-ethyl-3,5-difluorophenyl)methylideneamino]-1-(4-ethylphenyl)methanimine (PubChem CID 19368686) has the molecular formula C18H18F2N2 and a molecular weight of 300.35 g/mol. Its IUPAC name is (E)-N-[(E)-(4-ethyl-3,5-difluorophenyl)methylideneamino]-1-(4-ethylphenyl)methanimine.

Molecular Properties

Compound Name(E)-N-[(E)-(4-ethyl-3,5-difluorophenyl)methylideneamino]-1-(4-ethylphenyl)methanimine
PubChem CID19368686
Molecular FormulaC18H18F2N2
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name(E)-N-[(E)-(4-ethyl-3,5-difluorophenyl)methylideneamino]-1-(4-ethylphenyl)methanimine
SMILESCCc1ccc(/C=N/N=C/c2cc(F)c(CC)c(F)c2)cc1
InChIInChI=1S/C18H18F2N2/c1-3-13-5-7-14(8-6-13)11-21-22-12-15-9-17(19)16(4-2)18(20)10-15/h5-12H,3-4H2,1-2H3/b21-11+,22-12+
InChIKeyAOSVCFWUCAJRLM-XHQRYOPUSA-N
XLogP4.54
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 ≤ 54.54
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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Related Compounds

1-(4-butylphenyl)-N-[(4-ethyl-3,5-difluorophenyl)methylideneamino]methanimine
CID 54200575
(E)-N-[(E)-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]-1-(4-ethylphenyl)methanimine
CID 19368359
N-[[4-(difluoromethoxy)-3-fluorophenyl]methylideneamino]-1-(4-ethylphenyl)methanimine
CID 54572346
(E)-N-[(E)-(4-ethyl-2-fluorophenyl)methylideneamino]-1-(4-methylphenyl)methanimine
CID 19368641
N-[(3,4-difluorophenyl)methylideneamino]-1-[4-(4-ethyl-2-fluorophenyl)phenyl]methanimine
CID 54129002
N-[(3,5-difluoro-4-methylphenyl)methylideneamino]-1-(4-pentylphenyl)methanimine
CID 54337056
1-(4-but-3-enylphenyl)-N-[[4-(4-ethylphenyl)-3-fluorophenyl]methylideneamino]methanimine
CID 54082763
4-[(E)-[(E)-(4-ethylphenyl)methylidenehydrazinylidene]methyl]-N-methylaniline
CID 172917579
N-[(3-fluoro-4-propylphenyl)methylideneamino]-1-(4-propylphenyl)methanimine
CID 54117379
(E)-N-[(E)-(4-ethyl-3-fluorophenyl)methylideneamino]-1-(4-pentylphenyl)methanimine
CID 19368563
(E)-1-(4-butylphenyl)-N-[(E)-(3,5-difluoro-4-methoxyphenyl)methylideneamino]methanimine
CID 19368243
N-[[3-fluoro-4-(trifluoromethyl)phenyl]methylideneamino]-1-(4-propylphenyl)methanimine
CID 54079690

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(E)-(4-ethyl-3,5-difluorophenyl)methylideneamino]-1-(4-ethylphenyl)methanimine?
The IUPAC name of (E)-N-[(E)-(4-ethyl-3,5-difluorophenyl)methylideneamino]-1-(4-ethylphenyl)methanimine (CID 19368686) is (E)-N-[(E)-(4-ethyl-3,5-difluorophenyl)methylideneamino]-1-(4-ethylphenyl)methanimine.
What is the SMILES notation for (E)-N-[(E)-(4-ethyl-3,5-difluorophenyl)methylideneamino]-1-(4-ethylphenyl)methanimine?
The canonical SMILES for (E)-N-[(E)-(4-ethyl-3,5-difluorophenyl)methylideneamino]-1-(4-ethylphenyl)methanimine is CCc1ccc(/C=N/N=C/c2cc(F)c(CC)c(F)c2)cc1.
What is the InChIKey of (E)-N-[(E)-(4-ethyl-3,5-difluorophenyl)methylideneamino]-1-(4-ethylphenyl)methanimine?
The InChIKey is AOSVCFWUCAJRLM-XHQRYOPUSA-N. The full InChI is InChI=1S/C18H18F2N2/c1-3-13-5-7-14(8-6-13)11-21-22-12-15-9-17(19)16(4-2)18(20)10-15/h5-12H,3-4H2,1-2H3/b21-11+,22-12+.
What are the key properties of (E)-N-[(E)-(4-ethyl-3,5-difluorophenyl)methylideneamino]-1-(4-ethylphenyl)methanimine?
(E)-N-[(E)-(4-ethyl-3,5-difluorophenyl)methylideneamino]-1-(4-ethylphenyl)methanimine has a molecular weight of 300.35 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-(4-ethyl-3,5-difluorophenyl)methylideneamino]-1-(4-ethylphenyl)methanimine is sourced from PubChem (CID 19368686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).