3-(dibenzofuran-3-ylmethoxy)-1-azabicyclo[2.2.2]octane

C20H21NO2 — CID 139688662

IUPAC3-(dibenzofuran-3-ylmethoxy)-1-azabicyclo[2.2.2]octane
SMILESc1ccc2c(c1)oc1cc(COC3CN4CCC3CC4)ccc12
InChIInChI=1S/C20H21NO2/c1-2-4-18-16(3-1)17-6-5-14(11-19(17)23-18)13-22-20-12-21-9-7-15(20)8-10-21/h1-6,11,15,20H,7-10,12-13H2
InChIKeyYWFFZUCTHXLFOM-UHFFFAOYSA-N
MW307.39 g/mol
LogP4.20
Rot. Bonds3

About 3-(dibenzofuran-3-ylmethoxy)-1-azabicyclo[2.2.2]octane

3-(dibenzofuran-3-ylmethoxy)-1-azabicyclo[2.2.2]octane (PubChem CID 139688662) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 3-(dibenzofuran-3-ylmethoxy)-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name3-(dibenzofuran-3-ylmethoxy)-1-azabicyclo[2.2.2]octane
PubChem CID139688662
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name3-(dibenzofuran-3-ylmethoxy)-1-azabicyclo[2.2.2]octane
SMILESc1ccc2c(c1)oc1cc(COC3CN4CCC3CC4)ccc12
InChIInChI=1S/C20H21NO2/c1-2-4-18-16(3-1)17-6-5-14(11-19(17)23-18)13-22-20-12-21-9-7-15(20)8-10-21/h1-6,11,15,20H,7-10,12-13H2
InChIKeyYWFFZUCTHXLFOM-UHFFFAOYSA-N
XLogP4.20
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(dibenzofuran-3-ylmethoxy)-1-azabicyclo[2.2.2]octane with MolForge

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Related Compounds

2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]xanthen-9-one
CID 11461396
3-ethyldibenzofuran
CID 58510747
7-(ethoxymethyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 170228909
3-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxymethyl]-10-butylphenothiazine
CID 11749766
2-[4-(1-azabicyclo[2.2.2]octan-3-yloxymethyl)phenyl]-5-(trifluoromethyl)-1,3-benzoxazole
CID 18986072
dibenzofuran-3-ylmethyl prop-2-enoate
CID 90268477
2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]ethanol
CID 101160976
1-(dibenzofuran-3-ylmethyl)-2-methylhydrazine;hydrochloride
CID 159122805
N-(dibenzofuran-3-ylmethyl)-N-propan-2-ylaniline
CID 167208490
1-azabicyclo[2.2.2]octan-3-yl (3-bromophenyl)methyl carbonate
CID 59187157
3-[(2-phenyl-6-bicyclo[3.1.1]hepta-1,3,5(7)-trienyl)oxymethoxy]-1-azabicyclo[2.2.2]octane
CID 141082802
3-[(2-methylcyclohexyl)oxymethyl]-1-benzofuran-2-carboxylic acid
CID 43120657

Frequently Asked Questions

What is the IUPAC name of 3-(dibenzofuran-3-ylmethoxy)-1-azabicyclo[2.2.2]octane?
The IUPAC name of 3-(dibenzofuran-3-ylmethoxy)-1-azabicyclo[2.2.2]octane (CID 139688662) is 3-(dibenzofuran-3-ylmethoxy)-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for 3-(dibenzofuran-3-ylmethoxy)-1-azabicyclo[2.2.2]octane?
The canonical SMILES for 3-(dibenzofuran-3-ylmethoxy)-1-azabicyclo[2.2.2]octane is c1ccc2c(c1)oc1cc(COC3CN4CCC3CC4)ccc12.
What is the InChIKey of 3-(dibenzofuran-3-ylmethoxy)-1-azabicyclo[2.2.2]octane?
The InChIKey is YWFFZUCTHXLFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-2-4-18-16(3-1)17-6-5-14(11-19(17)23-18)13-22-20-12-21-9-7-15(20)8-10-21/h1-6,11,15,20H,7-10,12-13H2.
What are the key properties of 3-(dibenzofuran-3-ylmethoxy)-1-azabicyclo[2.2.2]octane?
3-(dibenzofuran-3-ylmethoxy)-1-azabicyclo[2.2.2]octane has a molecular weight of 307.39 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dibenzofuran-3-ylmethoxy)-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 139688662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).