1-(1-azabicyclo[2.2.2]octan-2-yl)-1-phenyl-N-phenylmethoxymethanimine

C21H24N2O — CID 123190449

IUPAC1-(1-azabicyclo[2.2.2]octan-2-yl)-1-phenyl-N-phenylmethoxymethanimine
SMILESc1ccc(CON=C(c2ccccc2)C2CC3CCN2CC3)cc1
InChIInChI=1S/C21H24N2O/c1-3-7-18(8-4-1)16-24-22-21(19-9-5-2-6-10-19)20-15-17-11-13-23(20)14-12-17/h1-10,17,20H,11-16H2
InChIKeyVSYFDBNZJCWOFK-UHFFFAOYSA-N
MW320.44 g/mol
LogP4.09
Rot. Bonds5

About 1-(1-azabicyclo[2.2.2]octan-2-yl)-1-phenyl-N-phenylmethoxymethanimine

1-(1-azabicyclo[2.2.2]octan-2-yl)-1-phenyl-N-phenylmethoxymethanimine (PubChem CID 123190449) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-(1-azabicyclo[2.2.2]octan-2-yl)-1-phenyl-N-phenylmethoxymethanimine.

Molecular Properties

Compound Name1-(1-azabicyclo[2.2.2]octan-2-yl)-1-phenyl-N-phenylmethoxymethanimine
PubChem CID123190449
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name1-(1-azabicyclo[2.2.2]octan-2-yl)-1-phenyl-N-phenylmethoxymethanimine
SMILESc1ccc(CON=C(c2ccccc2)C2CC3CCN2CC3)cc1
InChIInChI=1S/C21H24N2O/c1-3-7-18(8-4-1)16-24-22-21(19-9-5-2-6-10-19)20-15-17-11-13-23(20)14-12-17/h1-10,17,20H,11-16H2
InChIKeyVSYFDBNZJCWOFK-UHFFFAOYSA-N
XLogP4.09
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.09
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-azabicyclo[2.2.2]octan-2-yl-(4-fluorophenyl)methanone;(Z)-1-(1-azabicyclo[2.2.2]octan-2-yl)-1-(4-fluorophenyl)-N-phenylmethoxymethanimine;hydrochloride
CID 87714931
2-(C-phenyl-N-phenylmethoxycarbonimidoyl)pyrrolidine-1-carboxylic acid
CID 87539219
(E)-1-cyclopropyl-N-phenylmethoxyethanimine
CID 163358834
(E)-1-phenyl-N-phenylmethoxy-1-(2-prop-2-enyl-2-azabicyclo[2.1.1]hexan-1-yl)methanimine
CID 173019453
1,5-diphenyl-1-N,3-N,5-N-tris(phenylmethoxy)pentane-1,3,5-triimine
CID 87328446
(Z)-1-cyclopropyl-1-(4-fluorocyclohexyl)-N-phenylmethoxymethanimine
CID 140515381
3-[(Z)-N'-phenylmethoxycarbamimidoyl]benzoic acid
CID 142953452
(Z)-1-phenyl-N-phenylmethoxy-1-pyridin-2-ylmethanimine
CID 87293171
methyl (2Z)-2-(1-adamantyl)-2-phenylmethoxyiminoacetate
CID 15505129
2-(2-phenylethoxy)-1-azabicyclo[2.2.2]octane
CID 154128483
1-phenyl-1-N,3-N-bis(phenylmethoxy)butane-1,3-diimine
CID 87328837
(4Z)-1,4-diphenyl-4-phenylmethoxyiminobutan-1-one
CID 88532291

Frequently Asked Questions

What is the IUPAC name of 1-(1-azabicyclo[2.2.2]octan-2-yl)-1-phenyl-N-phenylmethoxymethanimine?
The IUPAC name of 1-(1-azabicyclo[2.2.2]octan-2-yl)-1-phenyl-N-phenylmethoxymethanimine (CID 123190449) is 1-(1-azabicyclo[2.2.2]octan-2-yl)-1-phenyl-N-phenylmethoxymethanimine.
What is the SMILES notation for 1-(1-azabicyclo[2.2.2]octan-2-yl)-1-phenyl-N-phenylmethoxymethanimine?
The canonical SMILES for 1-(1-azabicyclo[2.2.2]octan-2-yl)-1-phenyl-N-phenylmethoxymethanimine is c1ccc(CON=C(c2ccccc2)C2CC3CCN2CC3)cc1.
What is the InChIKey of 1-(1-azabicyclo[2.2.2]octan-2-yl)-1-phenyl-N-phenylmethoxymethanimine?
The InChIKey is VSYFDBNZJCWOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-3-7-18(8-4-1)16-24-22-21(19-9-5-2-6-10-19)20-15-17-11-13-23(20)14-12-17/h1-10,17,20H,11-16H2.
What are the key properties of 1-(1-azabicyclo[2.2.2]octan-2-yl)-1-phenyl-N-phenylmethoxymethanimine?
1-(1-azabicyclo[2.2.2]octan-2-yl)-1-phenyl-N-phenylmethoxymethanimine has a molecular weight of 320.44 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-azabicyclo[2.2.2]octan-2-yl)-1-phenyl-N-phenylmethoxymethanimine is sourced from PubChem (CID 123190449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).