(E)-N-[(4-fluorophenyl)methoxy]-1-azabicyclo[2.2.2]octan-3-imine

C14H17FN2O — CID 134098394

IUPAC(E)-N-[(4-fluorophenyl)methoxy]-1-azabicyclo[2.2.2]octan-3-imine
SMILESFc1ccc(CO/N=C2/CN3CCC2CC3)cc1
InChIInChI=1S/C14H17FN2O/c15-13-3-1-11(2-4-13)10-18-16-14-9-17-7-5-12(14)6-8-17/h1-4,12H,5-10H2/b16-14-
InChIKeyPHCCKDXARAVSJK-PEZBUJJGSA-N
MW248.30 g/mol
LogP2.42
Rot. Bonds3

About (E)-N-[(4-fluorophenyl)methoxy]-1-azabicyclo[2.2.2]octan-3-imine

(E)-N-[(4-fluorophenyl)methoxy]-1-azabicyclo[2.2.2]octan-3-imine (PubChem CID 134098394) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is (E)-N-[(4-fluorophenyl)methoxy]-1-azabicyclo[2.2.2]octan-3-imine.

Molecular Properties

Compound Name(E)-N-[(4-fluorophenyl)methoxy]-1-azabicyclo[2.2.2]octan-3-imine
PubChem CID134098394
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name(E)-N-[(4-fluorophenyl)methoxy]-1-azabicyclo[2.2.2]octan-3-imine
SMILESFc1ccc(CO/N=C2/CN3CCC2CC3)cc1
InChIInChI=1S/C14H17FN2O/c15-13-3-1-11(2-4-13)10-18-16-14-9-17-7-5-12(14)6-8-17/h1-4,12H,5-10H2/b16-14-
InChIKeyPHCCKDXARAVSJK-PEZBUJJGSA-N
XLogP2.42
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.42
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-[3-(4-fluorophenyl)prop-2-ynoxy]-1-azabicyclo[2.2.1]heptan-3-imine
CID 10706348
5-[[(E)-1-azabicyclo[2.2.2]octan-3-ylideneamino]oxymethyl]-1,2-oxazole-3-carbonitrile
CID 101144807
(Z)-N-[(4-fluorophenyl)methoxy]-3-pyridin-3-ylcyclohexan-1-imine
CID 166232892
(E)-N-[(4-fluorophenyl)methoxy]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine
CID 146675986
(4-fluorophenyl)methoxy-trimethylsilane
CID 573272
3-[(4-fluorophenyl)methoxyiminomethyl]-1-pyrimidin-2-ylpyrrolidin-2-one
CID 3759930
1-(4-fluorophenyl)-N-[(4-fluorophenyl)methoxy]methanimine
CID 76856167
(Z)-N-[(E)-pent-2-en-4-ynoxy]-1-azabicyclo[2.2.1]heptan-3-imine
CID 10058347
4-[1-[(4-fluorophenyl)methoxy]pyrazol-3-yl]piperidine
CID 164914755
N-[(4-fluorophenyl)methoxy]-9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-imine
CID 73218544
N-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111732092
1-[(4-fluorophenyl)methyl]-3-phenylpyrrolidine
CID 60603464

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(4-fluorophenyl)methoxy]-1-azabicyclo[2.2.2]octan-3-imine?
The IUPAC name of (E)-N-[(4-fluorophenyl)methoxy]-1-azabicyclo[2.2.2]octan-3-imine (CID 134098394) is (E)-N-[(4-fluorophenyl)methoxy]-1-azabicyclo[2.2.2]octan-3-imine.
What is the SMILES notation for (E)-N-[(4-fluorophenyl)methoxy]-1-azabicyclo[2.2.2]octan-3-imine?
The canonical SMILES for (E)-N-[(4-fluorophenyl)methoxy]-1-azabicyclo[2.2.2]octan-3-imine is Fc1ccc(CO/N=C2/CN3CCC2CC3)cc1.
What is the InChIKey of (E)-N-[(4-fluorophenyl)methoxy]-1-azabicyclo[2.2.2]octan-3-imine?
The InChIKey is PHCCKDXARAVSJK-PEZBUJJGSA-N. The full InChI is InChI=1S/C14H17FN2O/c15-13-3-1-11(2-4-13)10-18-16-14-9-17-7-5-12(14)6-8-17/h1-4,12H,5-10H2/b16-14-.
What are the key properties of (E)-N-[(4-fluorophenyl)methoxy]-1-azabicyclo[2.2.2]octan-3-imine?
(E)-N-[(4-fluorophenyl)methoxy]-1-azabicyclo[2.2.2]octan-3-imine has a molecular weight of 248.30 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(4-fluorophenyl)methoxy]-1-azabicyclo[2.2.2]octan-3-imine is sourced from PubChem (CID 134098394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).