(E)-N-(1-azabicyclo[2.2.2]octan-3-yloxy)-1-[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanimine

C22H23F3N2O2 — CID 71653129

IUPAC(E)-N-(1-azabicyclo[2.2.2]octan-3-yloxy)-1-[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanimine
SMILESFC(F)(F)c1cccc(COc2ccccc2/C=N/OC2CN3CCC2CC3)c1
InChIInChI=1S/C22H23F3N2O2/c23-22(24,25)19-6-3-4-16(12-19)15-28-20-7-2-1-5-18(20)13-26-29-21-14-27-10-8-17(21)9-11-27/h1-7,12-13,17,21H,8-11,14-15H2/b26-13+
InChIKeyYTWYISZLNPBYLY-LGJNPRDNSA-N
MW404.43 g/mol
LogP4.73
Rot. Bonds6

About (E)-N-(1-azabicyclo[2.2.2]octan-3-yloxy)-1-[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanimine

(E)-N-(1-azabicyclo[2.2.2]octan-3-yloxy)-1-[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanimine (PubChem CID 71653129) has the molecular formula C22H23F3N2O2 and a molecular weight of 404.43 g/mol. Its IUPAC name is (E)-N-(1-azabicyclo[2.2.2]octan-3-yloxy)-1-[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanimine.

Molecular Properties

Compound Name(E)-N-(1-azabicyclo[2.2.2]octan-3-yloxy)-1-[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanimine
PubChem CID71653129
Molecular FormulaC22H23F3N2O2
Molecular Weight404.43 g/mol
Exact Mass404.17
IUPAC Name(E)-N-(1-azabicyclo[2.2.2]octan-3-yloxy)-1-[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanimine
SMILESFC(F)(F)c1cccc(COc2ccccc2/C=N/OC2CN3CCC2CC3)c1
InChIInChI=1S/C22H23F3N2O2/c23-22(24,25)19-6-3-4-16(12-19)15-28-20-7-2-1-5-18(20)13-26-29-21-14-27-10-8-17(21)9-11-27/h1-7,12-13,17,21H,8-11,14-15H2/b26-13+
InChIKeyYTWYISZLNPBYLY-LGJNPRDNSA-N
XLogP4.73
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-N-(1-azabicyclo[2.2.2]octan-3-yloxy)-1-[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanimine with MolForge

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Related Compounds

N-(1-azabicyclo[2.2.2]octan-3-yloxy)-1-[2-[(3-fluorophenyl)methoxy]phenyl]methanimine
CID 78138881
(E)-N-(1-azabicyclo[2.2.2]octan-3-yloxy)-1-[2-[(3-chlorophenyl)methoxy]phenyl]methanimine
CID 71652832
(E)-N-(1-azabicyclo[2.2.2]octan-3-yloxy)-1-[2-[(2,6-dichlorophenyl)methoxy]phenyl]methanimine
CID 71652988
N-[[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)aniline
CID 110841580
[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
CID 43147467
1-ethyl-2-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 60627169
2-methyl-3-[[3-(trifluoromethyl)phenyl]methoxy]aniline
CID 43437803
1-propan-2-yl-2-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 60627388
N-[(E)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-methylmethanamine
CID 110339528
1-[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethanol
CID 43503898
2-piperidin-1-yl-8-[[3-(trifluoromethyl)phenyl]methoxy]quinoline
CID 16812558
2-chloro-4-fluoro-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 25235984

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-azabicyclo[2.2.2]octan-3-yloxy)-1-[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanimine?
The IUPAC name of (E)-N-(1-azabicyclo[2.2.2]octan-3-yloxy)-1-[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanimine (CID 71653129) is (E)-N-(1-azabicyclo[2.2.2]octan-3-yloxy)-1-[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanimine.
What is the SMILES notation for (E)-N-(1-azabicyclo[2.2.2]octan-3-yloxy)-1-[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanimine?
The canonical SMILES for (E)-N-(1-azabicyclo[2.2.2]octan-3-yloxy)-1-[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanimine is FC(F)(F)c1cccc(COc2ccccc2/C=N/OC2CN3CCC2CC3)c1.
What is the InChIKey of (E)-N-(1-azabicyclo[2.2.2]octan-3-yloxy)-1-[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanimine?
The InChIKey is YTWYISZLNPBYLY-LGJNPRDNSA-N. The full InChI is InChI=1S/C22H23F3N2O2/c23-22(24,25)19-6-3-4-16(12-19)15-28-20-7-2-1-5-18(20)13-26-29-21-14-27-10-8-17(21)9-11-27/h1-7,12-13,17,21H,8-11,14-15H2/b26-13+.
What are the key properties of (E)-N-(1-azabicyclo[2.2.2]octan-3-yloxy)-1-[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanimine?
(E)-N-(1-azabicyclo[2.2.2]octan-3-yloxy)-1-[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanimine has a molecular weight of 404.43 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-azabicyclo[2.2.2]octan-3-yloxy)-1-[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanimine is sourced from PubChem (CID 71653129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).