N-[[4-(difluoromethoxy)-3-fluorophenyl]methylideneamino]-1-(4-ethylphenyl)methanimine

C17H15F3N2O — CID 54572346

IUPACN-[[4-(difluoromethoxy)-3-fluorophenyl]methylideneamino]-1-(4-ethylphenyl)methanimine
SMILESCCc1ccc(C=NN=Cc2ccc(OC(F)F)c(F)c2)cc1
InChIInChI=1S/C17H15F3N2O/c1-2-12-3-5-13(6-4-12)10-21-22-11-14-7-8-16(15(18)9-14)23-17(19)20/h3-11,17H,2H2,1H3
InChIKeyZYEYBJXWRRDHPB-UHFFFAOYSA-N
MW320.31 g/mol
LogP4.44
Rot. Bonds6

About N-[[4-(difluoromethoxy)-3-fluorophenyl]methylideneamino]-1-(4-ethylphenyl)methanimine

N-[[4-(difluoromethoxy)-3-fluorophenyl]methylideneamino]-1-(4-ethylphenyl)methanimine (PubChem CID 54572346) has the molecular formula C17H15F3N2O and a molecular weight of 320.31 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)-3-fluorophenyl]methylideneamino]-1-(4-ethylphenyl)methanimine.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)-3-fluorophenyl]methylideneamino]-1-(4-ethylphenyl)methanimine
PubChem CID54572346
Molecular FormulaC17H15F3N2O
Molecular Weight320.31 g/mol
Exact Mass320.11
IUPAC NameN-[[4-(difluoromethoxy)-3-fluorophenyl]methylideneamino]-1-(4-ethylphenyl)methanimine
SMILESCCc1ccc(C=NN=Cc2ccc(OC(F)F)c(F)c2)cc1
InChIInChI=1S/C17H15F3N2O/c1-2-12-3-5-13(6-4-12)10-21-22-11-14-7-8-16(15(18)9-14)23-17(19)20/h3-11,17H,2H2,1H3
InChIKeyZYEYBJXWRRDHPB-UHFFFAOYSA-N
XLogP4.44
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 54.44
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

(E)-N-[(E)-(4-ethyl-3,5-difluorophenyl)methylideneamino]-1-(4-ethylphenyl)methanimine
CID 19368686
(E)-N-[(E)-[4-(difluoromethoxy)-3,5-difluorophenyl]methylideneamino]-1-(4-pentylphenyl)methanimine
CID 19368311
1-(difluoromethoxy)-4-[4-(4-ethylphenyl)-2-fluorophenyl]-2-fluorobenzene
CID 67798587
benzyl N'-[[4-(difluoromethoxy)-3-fluorophenyl]methylideneamino]carbamimidothioate
CID 168611306
(E)-N-[(E)-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]-1-(4-ethylphenyl)methanimine
CID 19368359
1,2-bis(difluoromethoxy)-4-ethylbenzene
CID 70298002
1-(4-but-3-enylphenyl)-N-[[4-(4-ethylphenyl)-3-fluorophenyl]methylideneamino]methanimine
CID 54082763
(E)-1-(4-butylphenyl)-N-[(E)-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]methanimine
CID 19368957
N-[(3,4-difluorophenyl)methylideneamino]-1-[4-(4-ethyl-2-fluorophenyl)phenyl]methanimine
CID 54129002
(E)-N-[(E)-[4-(difluoromethoxy)-3,5-difluorophenyl]methylideneamino]-1-(4-methoxyphenyl)methanimine
CID 19368279
1-(difluoromethoxy)-2,4-difluorobenzene
CID 18344090
(E)-N-[(E)-(4-ethyl-2-fluorophenyl)methylideneamino]-1-(4-methylphenyl)methanimine
CID 19368641

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)-3-fluorophenyl]methylideneamino]-1-(4-ethylphenyl)methanimine?
The IUPAC name of N-[[4-(difluoromethoxy)-3-fluorophenyl]methylideneamino]-1-(4-ethylphenyl)methanimine (CID 54572346) is N-[[4-(difluoromethoxy)-3-fluorophenyl]methylideneamino]-1-(4-ethylphenyl)methanimine.
What is the SMILES notation for N-[[4-(difluoromethoxy)-3-fluorophenyl]methylideneamino]-1-(4-ethylphenyl)methanimine?
The canonical SMILES for N-[[4-(difluoromethoxy)-3-fluorophenyl]methylideneamino]-1-(4-ethylphenyl)methanimine is CCc1ccc(C=NN=Cc2ccc(OC(F)F)c(F)c2)cc1.
What is the InChIKey of N-[[4-(difluoromethoxy)-3-fluorophenyl]methylideneamino]-1-(4-ethylphenyl)methanimine?
The InChIKey is ZYEYBJXWRRDHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O/c1-2-12-3-5-13(6-4-12)10-21-22-11-14-7-8-16(15(18)9-14)23-17(19)20/h3-11,17H,2H2,1H3.
What are the key properties of N-[[4-(difluoromethoxy)-3-fluorophenyl]methylideneamino]-1-(4-ethylphenyl)methanimine?
N-[[4-(difluoromethoxy)-3-fluorophenyl]methylideneamino]-1-(4-ethylphenyl)methanimine has a molecular weight of 320.31 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)-3-fluorophenyl]methylideneamino]-1-(4-ethylphenyl)methanimine is sourced from PubChem (CID 54572346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).