3-(2,6-dimethoxyphenyl)-8-azabicyclo[3.2.1]octane

C15H21NO2 — CID 24904304

IUPAC3-(2,6-dimethoxyphenyl)-8-azabicyclo[3.2.1]octane
SMILESCOc1cccc(OC)c1C1CC2CCC(C1)N2
InChIInChI=1S/C15H21NO2/c1-17-13-4-3-5-14(18-2)15(13)10-8-11-6-7-12(9-10)16-11/h3-5,10-12,16H,6-9H2,1-2H3
InChIKeyQUHOOXBSZAYGAT-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.70
Rot. Bonds3

About 3-(2,6-dimethoxyphenyl)-8-azabicyclo[3.2.1]octane

3-(2,6-dimethoxyphenyl)-8-azabicyclo[3.2.1]octane (PubChem CID 24904304) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-(2,6-dimethoxyphenyl)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(2,6-dimethoxyphenyl)-8-azabicyclo[3.2.1]octane
PubChem CID24904304
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name3-(2,6-dimethoxyphenyl)-8-azabicyclo[3.2.1]octane
SMILESCOc1cccc(OC)c1C1CC2CCC(C1)N2
InChIInChI=1S/C15H21NO2/c1-17-13-4-3-5-14(18-2)15(13)10-8-11-6-7-12(9-10)16-11/h3-5,10-12,16H,6-9H2,1-2H3
InChIKeyQUHOOXBSZAYGAT-UHFFFAOYSA-N
XLogP2.70
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,6-dimethoxyphenyl)-3-fluoro-8-azabicyclo[3.2.1]octane
CID 116811438
3-methoxy-2-(3-methylcyclobutyl)phenol
CID 163644409
2-cyclopropyl-1-fluoro-3-methoxybenzene
CID 144811064
3-(2,6-dimethoxyphenyl)cyclopentan-1-one
CID 112705599
3-(2-fluoro-6-methoxyphenyl)pyrrolidine;hydrochloride
CID 169498266
2-(2,6-dimethoxyphenyl)-3-methylpyrrolidine
CID 3362544
bis(2-cyclopropyl-3-methoxyphenyl)methanone
CID 73011768
3-(2-fluoro-3-methylphenyl)-8-azabicyclo[3.2.1]octane
CID 24904373
bismuth tris(2,6-dimethoxybenzenethiolate)
CID 15973660
2-(2-fluoro-6-methoxyphenyl)azetidine
CID 55282434
(4R)-4-(2,6-dimethoxyphenyl)imidazolidin-2-one
CID 171252504
(7R)-7-(2,6-dimethoxyphenyl)azepan-2-one
CID 129395184

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethoxyphenyl)-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(2,6-dimethoxyphenyl)-8-azabicyclo[3.2.1]octane (CID 24904304) is 3-(2,6-dimethoxyphenyl)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(2,6-dimethoxyphenyl)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(2,6-dimethoxyphenyl)-8-azabicyclo[3.2.1]octane is COc1cccc(OC)c1C1CC2CCC(C1)N2.
What is the InChIKey of 3-(2,6-dimethoxyphenyl)-8-azabicyclo[3.2.1]octane?
The InChIKey is QUHOOXBSZAYGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-17-13-4-3-5-14(18-2)15(13)10-8-11-6-7-12(9-10)16-11/h3-5,10-12,16H,6-9H2,1-2H3.
What are the key properties of 3-(2,6-dimethoxyphenyl)-8-azabicyclo[3.2.1]octane?
3-(2,6-dimethoxyphenyl)-8-azabicyclo[3.2.1]octane has a molecular weight of 247.34 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethoxyphenyl)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 24904304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).