N-[(3,4-difluorophenyl)methylideneamino]-1-[4-(4-ethylcyclohexyl)phenyl]methanimine

C22H24F2N2 — CID 54354891

IUPACN-[(3,4-difluorophenyl)methylideneamino]-1-[4-(4-ethylcyclohexyl)phenyl]methanimine
SMILESCCC1CCC(c2ccc(C=NN=Cc3ccc(F)c(F)c3)cc2)CC1
InChIInChI=1S/C22H24F2N2/c1-2-16-3-8-19(9-4-16)20-10-5-17(6-11-20)14-25-26-15-18-7-12-21(23)22(24)13-18/h5-7,10-16,19H,2-4,8-9H2,1H3
InChIKeyUIKVNOUUEHLZOZ-UHFFFAOYSA-N
MW354.44 g/mol
LogP6.10
Rot. Bonds5

About N-[(3,4-difluorophenyl)methylideneamino]-1-[4-(4-ethylcyclohexyl)phenyl]methanimine

N-[(3,4-difluorophenyl)methylideneamino]-1-[4-(4-ethylcyclohexyl)phenyl]methanimine (PubChem CID 54354891) has the molecular formula C22H24F2N2 and a molecular weight of 354.44 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methylideneamino]-1-[4-(4-ethylcyclohexyl)phenyl]methanimine.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methylideneamino]-1-[4-(4-ethylcyclohexyl)phenyl]methanimine
PubChem CID54354891
Molecular FormulaC22H24F2N2
Molecular Weight354.44 g/mol
Exact Mass354.19
IUPAC NameN-[(3,4-difluorophenyl)methylideneamino]-1-[4-(4-ethylcyclohexyl)phenyl]methanimine
SMILESCCC1CCC(c2ccc(C=NN=Cc3ccc(F)c(F)c3)cc2)CC1
InChIInChI=1S/C22H24F2N2/c1-2-16-3-8-19(9-4-16)20-10-5-17(6-11-20)14-25-26-15-18-7-12-21(23)22(24)13-18/h5-7,10-16,19H,2-4,8-9H2,1H3
InChIKeyUIKVNOUUEHLZOZ-UHFFFAOYSA-N
XLogP6.10
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.44
LogP ≤ 56.10
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-(3,4-difluorophenyl)-4-(4-ethylcyclohexyl)cycloheptane
CID 130256431
ethylcyclopropane;1,2,4-trifluorobenzene
CID 157032368
1-(4-ethylcyclohexyl)-4-(2-fluorophenyl)benzene
CID 139911152
4-(4-butylcyclohexyl)-1,2-difluorobenzene
CID 20677031
1-ethenyl-4-[4-(4-ethylcyclohexyl)phenyl]benzene;propane
CID 145009719
1-[4-(4-ethylcyclohexyl)phenyl]-2,4-difluorobenzene
CID 67806520
1,2-difluoro-4-[4-[(4-propylcyclohexyl)methyl]cyclohexyl]benzene
CID 20657061
1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372
1,2-difluoro-4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]benzene
CID 587774
1-(3,4-difluorophenyl)-N-[(2,6-difluoro-4-propylphenyl)methylideneamino]methanimine
CID 54401420
1,2-difluoro-4-[2-[4-(4-prop-2-enylcyclohexyl)phenyl]ethynyl]benzene
CID 70386944
2-[4-[4-(3,4-difluorophenyl)cyclohexyl]cyclohexyl]ethyl-ethylsilane
CID 137327778

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methylideneamino]-1-[4-(4-ethylcyclohexyl)phenyl]methanimine?
The IUPAC name of N-[(3,4-difluorophenyl)methylideneamino]-1-[4-(4-ethylcyclohexyl)phenyl]methanimine (CID 54354891) is N-[(3,4-difluorophenyl)methylideneamino]-1-[4-(4-ethylcyclohexyl)phenyl]methanimine.
What is the SMILES notation for N-[(3,4-difluorophenyl)methylideneamino]-1-[4-(4-ethylcyclohexyl)phenyl]methanimine?
The canonical SMILES for N-[(3,4-difluorophenyl)methylideneamino]-1-[4-(4-ethylcyclohexyl)phenyl]methanimine is CCC1CCC(c2ccc(C=NN=Cc3ccc(F)c(F)c3)cc2)CC1.
What is the InChIKey of N-[(3,4-difluorophenyl)methylideneamino]-1-[4-(4-ethylcyclohexyl)phenyl]methanimine?
The InChIKey is UIKVNOUUEHLZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N2/c1-2-16-3-8-19(9-4-16)20-10-5-17(6-11-20)14-25-26-15-18-7-12-21(23)22(24)13-18/h5-7,10-16,19H,2-4,8-9H2,1H3.
What are the key properties of N-[(3,4-difluorophenyl)methylideneamino]-1-[4-(4-ethylcyclohexyl)phenyl]methanimine?
N-[(3,4-difluorophenyl)methylideneamino]-1-[4-(4-ethylcyclohexyl)phenyl]methanimine has a molecular weight of 354.44 g/mol, XLogP of 6.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methylideneamino]-1-[4-(4-ethylcyclohexyl)phenyl]methanimine is sourced from PubChem (CID 54354891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).