(2S,3R)-3-[[5-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]oxy]-2-methyl-1-azabicyclo[2.2.2]octane

C21H24N2O2 — CID 68716509

IUPAC(2S,3R)-3-[[5-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]oxy]-2-methyl-1-azabicyclo[2.2.2]octane
SMILESC[C@H]1[C@H](Oc2ccc(-c3ccc4c(c3)CCO4)cn2)C2CCN1CC2
InChIInChI=1S/C21H24N2O2/c1-14-21(15-6-9-23(14)10-7-15)25-20-5-3-18(13-22-20)16-2-4-19-17(12-16)8-11-24-19/h2-5,12-15,21H,6-11H2,1H3/t14-,21-/m0/s1
InChIKeyJLNDFGUFRIKPBD-QKKBWIMNSA-N
MW336.44 g/mol
LogP3.55
Rot. Bonds3

About (2S,3R)-3-[[5-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]oxy]-2-methyl-1-azabicyclo[2.2.2]octane

(2S,3R)-3-[[5-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]oxy]-2-methyl-1-azabicyclo[2.2.2]octane (PubChem CID 68716509) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is (2S,3R)-3-[[5-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]oxy]-2-methyl-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name(2S,3R)-3-[[5-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]oxy]-2-methyl-1-azabicyclo[2.2.2]octane
PubChem CID68716509
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name(2S,3R)-3-[[5-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]oxy]-2-methyl-1-azabicyclo[2.2.2]octane
SMILESC[C@H]1[C@H](Oc2ccc(-c3ccc4c(c3)CCO4)cn2)C2CCN1CC2
InChIInChI=1S/C21H24N2O2/c1-14-21(15-6-9-23(14)10-7-15)25-20-5-3-18(13-22-20)16-2-4-19-17(12-16)8-11-24-19/h2-5,12-15,21H,6-11H2,1H3/t14-,21-/m0/s1
InChIKeyJLNDFGUFRIKPBD-QKKBWIMNSA-N
XLogP3.55
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S,3R)-3-[[5-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]oxy]-2-methyl-1-azabicyclo[2.2.2]octane with MolForge

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Launch Full Analysis

Related Compounds

3-[[5-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]oxy]-2-methyl-1-azabicyclo[2.2.2]octane
CID 68716507
(2S,3R)-3-[[5-(1-benzothiophen-6-yl)-2-pyridinyl]oxy]-2-methyl-1-azabicyclo[2.2.2]octane
CID 68716785
1-(4-methoxyphenyl)-5-[6-[(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)oxy]-3-pyridinyl]indole
CID 68710990
(2S,3R)-2-methyl-3-[5-(4-methylphenyl)pyrimidin-2-yl]oxy-1-azabicyclo[2.2.2]octane
CID 68716644
3-[4-(1,3-benzodioxol-5-yl)pyridazin-3-yl]oxy-2-methyl-1-azabicyclo[2.2.2]octane
CID 68717270
7-(6-methoxy-3-pyridinyl)-2,3-dihydrochromen-4-one
CID 72846544
(2R,3S)-N-[5-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine
CID 67491856
5-(5-cyclobutyl-2,8-dioxa-5-azabicyclo[9.4.0]pentadeca-1(11),12,14-trien-13-yl)-N-methylpyridine-2-carboxamide
CID 143841948
5-(3,4-dihydro-2H-chromen-6-yl)pyridin-2-amine
CID 62492220
3-(2,3-dihydro-1-benzofuran-5-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 116532675
3-(2,3-dihydro-1-benzofuran-5-yl)imidazo[1,2-a]pyrazine
CID 141418101
3-[[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-3-yl]methoxy]-6-methylpyridazine
CID 163355188

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-[[5-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]oxy]-2-methyl-1-azabicyclo[2.2.2]octane?
The IUPAC name of (2S,3R)-3-[[5-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]oxy]-2-methyl-1-azabicyclo[2.2.2]octane (CID 68716509) is (2S,3R)-3-[[5-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]oxy]-2-methyl-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for (2S,3R)-3-[[5-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]oxy]-2-methyl-1-azabicyclo[2.2.2]octane?
The canonical SMILES for (2S,3R)-3-[[5-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]oxy]-2-methyl-1-azabicyclo[2.2.2]octane is C[C@H]1[C@H](Oc2ccc(-c3ccc4c(c3)CCO4)cn2)C2CCN1CC2.
What is the InChIKey of (2S,3R)-3-[[5-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]oxy]-2-methyl-1-azabicyclo[2.2.2]octane?
The InChIKey is JLNDFGUFRIKPBD-QKKBWIMNSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-14-21(15-6-9-23(14)10-7-15)25-20-5-3-18(13-22-20)16-2-4-19-17(12-16)8-11-24-19/h2-5,12-15,21H,6-11H2,1H3/t14-,21-/m0/s1.
What are the key properties of (2S,3R)-3-[[5-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]oxy]-2-methyl-1-azabicyclo[2.2.2]octane?
(2S,3R)-3-[[5-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]oxy]-2-methyl-1-azabicyclo[2.2.2]octane has a molecular weight of 336.44 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-[[5-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]oxy]-2-methyl-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 68716509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).