3-(4-methoxyphenoxy)-1-azabicyclo[2.2.2]octane

C14H19NO2 — CID 19785515

IUPAC3-(4-methoxyphenoxy)-1-azabicyclo[2.2.2]octane
SMILESCOc1ccc(OC2CN3CCC2CC3)cc1
InChIInChI=1S/C14H19NO2/c1-16-12-2-4-13(5-3-12)17-14-10-15-8-6-11(14)7-9-15/h2-5,11,14H,6-10H2,1H3
InChIKeyPGUYIDIRCFQGNV-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.17
Rot. Bonds3

About 3-(4-methoxyphenoxy)-1-azabicyclo[2.2.2]octane

3-(4-methoxyphenoxy)-1-azabicyclo[2.2.2]octane (PubChem CID 19785515) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-(4-methoxyphenoxy)-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name3-(4-methoxyphenoxy)-1-azabicyclo[2.2.2]octane
PubChem CID19785515
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name3-(4-methoxyphenoxy)-1-azabicyclo[2.2.2]octane
SMILESCOc1ccc(OC2CN3CCC2CC3)cc1
InChIInChI=1S/C14H19NO2/c1-16-12-2-4-13(5-3-12)17-14-10-15-8-6-11(14)7-9-15/h2-5,11,14H,6-10H2,1H3
InChIKeyPGUYIDIRCFQGNV-UHFFFAOYSA-N
XLogP2.17
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenoxy)-1-azabicyclo[2.2.2]octane?
The IUPAC name of 3-(4-methoxyphenoxy)-1-azabicyclo[2.2.2]octane (CID 19785515) is 3-(4-methoxyphenoxy)-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for 3-(4-methoxyphenoxy)-1-azabicyclo[2.2.2]octane?
The canonical SMILES for 3-(4-methoxyphenoxy)-1-azabicyclo[2.2.2]octane is COc1ccc(OC2CN3CCC2CC3)cc1.
What is the InChIKey of 3-(4-methoxyphenoxy)-1-azabicyclo[2.2.2]octane?
The InChIKey is PGUYIDIRCFQGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-16-12-2-4-13(5-3-12)17-14-10-15-8-6-11(14)7-9-15/h2-5,11,14H,6-10H2,1H3.
What are the key properties of 3-(4-methoxyphenoxy)-1-azabicyclo[2.2.2]octane?
3-(4-methoxyphenoxy)-1-azabicyclo[2.2.2]octane has a molecular weight of 233.31 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenoxy)-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 19785515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).