4-methyl-1,7-diphenyl-2,6-dioxa-7-azabicyclo[2.2.2]octane

C18H19NO2 — CID 101198418

IUPAC4-methyl-1,7-diphenyl-2,6-dioxa-7-azabicyclo[2.2.2]octane
SMILESCC12COC(c3ccccc3)(OC1)N(c1ccccc1)C2
InChIInChI=1S/C18H19NO2/c1-17-12-19(16-10-6-3-7-11-16)18(20-13-17,21-14-17)15-8-4-2-5-9-15/h2-11H,12-14H2,1H3
InChIKeyKPDVWWOMDKGCAK-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.37
Rot. Bonds2

About 4-methyl-1,7-diphenyl-2,6-dioxa-7-azabicyclo[2.2.2]octane

4-methyl-1,7-diphenyl-2,6-dioxa-7-azabicyclo[2.2.2]octane (PubChem CID 101198418) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-methyl-1,7-diphenyl-2,6-dioxa-7-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name4-methyl-1,7-diphenyl-2,6-dioxa-7-azabicyclo[2.2.2]octane
PubChem CID101198418
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name4-methyl-1,7-diphenyl-2,6-dioxa-7-azabicyclo[2.2.2]octane
SMILESCC12COC(c3ccccc3)(OC1)N(c1ccccc1)C2
InChIInChI=1S/C18H19NO2/c1-17-12-19(16-10-6-3-7-11-16)18(20-13-17,21-14-17)15-8-4-2-5-9-15/h2-11H,12-14H2,1H3
InChIKeyKPDVWWOMDKGCAK-UHFFFAOYSA-N
XLogP3.37
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 11053540
trimethyl-[(2S)-2-phenyloxiran-2-yl]silane
CID 135037115
(2R)-1,2-dimethyl-2-phenylaziridine
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2,2-dimethyl-3-phenyloxetan-3-ol
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2-methyl-2-phenylmorpholine;hydrochloride
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3,4-dimethyl-3-phenylmorpholine
CID 140995655
1,5,6-triphenyl-2,7,8-trioxa-5-azabicyclo[4.2.0]octane
CID 101259220

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,7-diphenyl-2,6-dioxa-7-azabicyclo[2.2.2]octane?
The IUPAC name of 4-methyl-1,7-diphenyl-2,6-dioxa-7-azabicyclo[2.2.2]octane (CID 101198418) is 4-methyl-1,7-diphenyl-2,6-dioxa-7-azabicyclo[2.2.2]octane.
What is the SMILES notation for 4-methyl-1,7-diphenyl-2,6-dioxa-7-azabicyclo[2.2.2]octane?
The canonical SMILES for 4-methyl-1,7-diphenyl-2,6-dioxa-7-azabicyclo[2.2.2]octane is CC12COC(c3ccccc3)(OC1)N(c1ccccc1)C2.
What is the InChIKey of 4-methyl-1,7-diphenyl-2,6-dioxa-7-azabicyclo[2.2.2]octane?
The InChIKey is KPDVWWOMDKGCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-17-12-19(16-10-6-3-7-11-16)18(20-13-17,21-14-17)15-8-4-2-5-9-15/h2-11H,12-14H2,1H3.
What are the key properties of 4-methyl-1,7-diphenyl-2,6-dioxa-7-azabicyclo[2.2.2]octane?
4-methyl-1,7-diphenyl-2,6-dioxa-7-azabicyclo[2.2.2]octane has a molecular weight of 281.36 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,7-diphenyl-2,6-dioxa-7-azabicyclo[2.2.2]octane is sourced from PubChem (CID 101198418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).