2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]benzonitrile

C15H18N2O — CID 117052792

IUPAC2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]benzonitrile
SMILESCN1C2CCC1CC(Oc1ccccc1C#N)C2
InChIInChI=1S/C15H18N2O/c1-17-12-6-7-13(17)9-14(8-12)18-15-5-3-2-4-11(15)10-16/h2-5,12-14H,6-9H2,1H3
InChIKeyGCIWTQCIJVATMF-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.56
Rot. Bonds2

About 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]benzonitrile

2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]benzonitrile (PubChem CID 117052792) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]benzonitrile.

Molecular Properties

Compound Name2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]benzonitrile
PubChem CID117052792
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]benzonitrile
SMILESCN1C2CCC1CC(Oc1ccccc1C#N)C2
InChIInChI=1S/C15H18N2O/c1-17-12-6-7-13(17)9-14(8-12)18-15-5-3-2-4-11(15)10-16/h2-5,12-14H,6-9H2,1H3
InChIKeyGCIWTQCIJVATMF-UHFFFAOYSA-N
XLogP2.56
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]benzonitrile
CID 117052872
(1R,5S)-8-methyl-3-phenoxy-8-azabicyclo[3.2.1]octane
CID 21116177
2-(3-aminocyclopentyl)oxybenzonitrile
CID 79465196
2-(3-hydroxycyclohexyl)oxybenzonitrile
CID 117052783
2-(4-aminocyclohexyl)oxybenzonitrile;hydrochloride
CID 54592821
ethane;2-[(3R)-oxolan-3-yl]oxybenzonitrile
CID 144718283
2-(3-aminocyclohexyl)oxybenzonitrile
CID 79465738
2-(2-adamantyloxy)benzonitrile
CID 117052786
4-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy-phenylmethyl]benzonitrile
CID 10336882
2-[(2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxybenzonitrile
CID 138978245
8-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]quinoline
CID 141148841
2-[(1S,2S)-2-hydroxycyclohexyl]oxybenzonitrile
CID 102732456

Frequently Asked Questions

What is the IUPAC name of 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]benzonitrile?
The IUPAC name of 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]benzonitrile (CID 117052792) is 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]benzonitrile.
What is the SMILES notation for 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]benzonitrile?
The canonical SMILES for 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]benzonitrile is CN1C2CCC1CC(Oc1ccccc1C#N)C2.
What is the InChIKey of 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]benzonitrile?
The InChIKey is GCIWTQCIJVATMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-17-12-6-7-13(17)9-14(8-12)18-15-5-3-2-4-11(15)10-16/h2-5,12-14H,6-9H2,1H3.
What are the key properties of 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]benzonitrile?
2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]benzonitrile has a molecular weight of 242.32 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]benzonitrile is sourced from PubChem (CID 117052792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).