(E)-1-(4-butylphenyl)-N-[(E)-(3,5-difluoro-4-methoxyphenyl)methylideneamino]methanimine

C19H20F2N2O — CID 19368243

IUPAC(E)-1-(4-butylphenyl)-N-[(E)-(3,5-difluoro-4-methoxyphenyl)methylideneamino]methanimine
SMILESCCCCc1ccc(/C=N/N=C/c2cc(F)c(OC)c(F)c2)cc1
InChIInChI=1S/C19H20F2N2O/c1-3-4-5-14-6-8-15(9-7-14)12-22-23-13-16-10-17(20)19(24-2)18(21)11-16/h6-13H,3-5H2,1-2H3/b22-12+,23-13+
InChIKeyMLXIKAJMAPMZRJ-FWSOMWAYSA-N
MW330.38 g/mol
LogP4.77
Rot. Bonds7

About (E)-1-(4-butylphenyl)-N-[(E)-(3,5-difluoro-4-methoxyphenyl)methylideneamino]methanimine

(E)-1-(4-butylphenyl)-N-[(E)-(3,5-difluoro-4-methoxyphenyl)methylideneamino]methanimine (PubChem CID 19368243) has the molecular formula C19H20F2N2O and a molecular weight of 330.38 g/mol. Its IUPAC name is (E)-1-(4-butylphenyl)-N-[(E)-(3,5-difluoro-4-methoxyphenyl)methylideneamino]methanimine.

Molecular Properties

Compound Name(E)-1-(4-butylphenyl)-N-[(E)-(3,5-difluoro-4-methoxyphenyl)methylideneamino]methanimine
PubChem CID19368243
Molecular FormulaC19H20F2N2O
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Name(E)-1-(4-butylphenyl)-N-[(E)-(3,5-difluoro-4-methoxyphenyl)methylideneamino]methanimine
SMILESCCCCc1ccc(/C=N/N=C/c2cc(F)c(OC)c(F)c2)cc1
InChIInChI=1S/C19H20F2N2O/c1-3-4-5-14-6-8-15(9-7-14)12-22-23-13-16-10-17(20)19(24-2)18(21)11-16/h6-13H,3-5H2,1-2H3/b22-12+,23-13+
InChIKeyMLXIKAJMAPMZRJ-FWSOMWAYSA-N
XLogP4.77
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[[3,5-difluoro-4-(trifluoromethoxy)phenyl]methylideneamino]methanimine;N-[[3,5-difluoro-4-(trifluoromethoxy)phenyl]methylideneamino]-1-(4-propylphenyl)methanimine
CID 173276638
(E)-1-(4-butylphenyl)-N-[(E)-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]methanimine
CID 19368700
1-(4-butylphenyl)-N-[(4-ethyl-3,5-difluorophenyl)methylideneamino]methanimine
CID 54200575
(E)-N-[(E)-[4-(difluoromethoxy)-3,5-difluorophenyl]methylideneamino]-1-(4-pentylphenyl)methanimine
CID 19368311
N-[(3,5-difluoro-4-methylphenyl)methylideneamino]-1-(4-pentylphenyl)methanimine
CID 54337056
1-(4-butylphenyl)-N-[(4-fluorophenyl)methylideneamino]methanimine
CID 140983623
(E)-N-[(E)-(3-fluoro-4-methylphenyl)methylideneamino]-1-(4-pentylphenyl)methanimine
CID 19368301
(E)-N-[(E)-(4-ethyl-3-fluorophenyl)methylideneamino]-1-(4-pentylphenyl)methanimine
CID 19368563
(E)-1-(4-butylphenyl)-N-[(E)-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]methanimine
CID 19368957
(E)-N-[(E)-(4-butyl-2-fluorophenyl)methylideneamino]-1-(4-methylphenyl)methanimine
CID 19368295
(E)-N-[(E)-(4-butyl-2-fluorophenyl)methylideneamino]-1-(4-chlorophenyl)methanimine
CID 19368363
1-(4-but-3-enylphenyl)-N-[[4-(4-butylphenyl)-3-fluorophenyl]methylideneamino]methanimine
CID 54260600

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-butylphenyl)-N-[(E)-(3,5-difluoro-4-methoxyphenyl)methylideneamino]methanimine?
The IUPAC name of (E)-1-(4-butylphenyl)-N-[(E)-(3,5-difluoro-4-methoxyphenyl)methylideneamino]methanimine (CID 19368243) is (E)-1-(4-butylphenyl)-N-[(E)-(3,5-difluoro-4-methoxyphenyl)methylideneamino]methanimine.
What is the SMILES notation for (E)-1-(4-butylphenyl)-N-[(E)-(3,5-difluoro-4-methoxyphenyl)methylideneamino]methanimine?
The canonical SMILES for (E)-1-(4-butylphenyl)-N-[(E)-(3,5-difluoro-4-methoxyphenyl)methylideneamino]methanimine is CCCCc1ccc(/C=N/N=C/c2cc(F)c(OC)c(F)c2)cc1.
What is the InChIKey of (E)-1-(4-butylphenyl)-N-[(E)-(3,5-difluoro-4-methoxyphenyl)methylideneamino]methanimine?
The InChIKey is MLXIKAJMAPMZRJ-FWSOMWAYSA-N. The full InChI is InChI=1S/C19H20F2N2O/c1-3-4-5-14-6-8-15(9-7-14)12-22-23-13-16-10-17(20)19(24-2)18(21)11-16/h6-13H,3-5H2,1-2H3/b22-12+,23-13+.
What are the key properties of (E)-1-(4-butylphenyl)-N-[(E)-(3,5-difluoro-4-methoxyphenyl)methylideneamino]methanimine?
(E)-1-(4-butylphenyl)-N-[(E)-(3,5-difluoro-4-methoxyphenyl)methylideneamino]methanimine has a molecular weight of 330.38 g/mol, XLogP of 4.77, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-butylphenyl)-N-[(E)-(3,5-difluoro-4-methoxyphenyl)methylideneamino]methanimine is sourced from PubChem (CID 19368243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).