3-(2-methylphenoxy)-1-azabicyclo[3.2.1]octane

C14H19NO — CID 20679128

IUPAC3-(2-methylphenoxy)-1-azabicyclo[3.2.1]octane
SMILESCc1ccccc1OC1CC2CCN(C2)C1
InChIInChI=1S/C14H19NO/c1-11-4-2-3-5-14(11)16-13-8-12-6-7-15(9-12)10-13/h2-5,12-13H,6-10H2,1H3
InChIKeyJXYZVWHTABQHIJ-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.47
Rot. Bonds2

About 3-(2-methylphenoxy)-1-azabicyclo[3.2.1]octane

3-(2-methylphenoxy)-1-azabicyclo[3.2.1]octane (PubChem CID 20679128) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-(2-methylphenoxy)-1-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(2-methylphenoxy)-1-azabicyclo[3.2.1]octane
PubChem CID20679128
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name3-(2-methylphenoxy)-1-azabicyclo[3.2.1]octane
SMILESCc1ccccc1OC1CC2CCN(C2)C1
InChIInChI=1S/C14H19NO/c1-11-4-2-3-5-14(11)16-13-8-12-6-7-15(9-12)10-13/h2-5,12-13H,6-10H2,1H3
InChIKeyJXYZVWHTABQHIJ-UHFFFAOYSA-N
XLogP2.47
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenoxy)-1-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(2-methylphenoxy)-1-azabicyclo[3.2.1]octane (CID 20679128) is 3-(2-methylphenoxy)-1-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(2-methylphenoxy)-1-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(2-methylphenoxy)-1-azabicyclo[3.2.1]octane is Cc1ccccc1OC1CC2CCN(C2)C1.
What is the InChIKey of 3-(2-methylphenoxy)-1-azabicyclo[3.2.1]octane?
The InChIKey is JXYZVWHTABQHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-11-4-2-3-5-14(11)16-13-8-12-6-7-15(9-12)10-13/h2-5,12-13H,6-10H2,1H3.
What are the key properties of 3-(2-methylphenoxy)-1-azabicyclo[3.2.1]octane?
3-(2-methylphenoxy)-1-azabicyclo[3.2.1]octane has a molecular weight of 217.31 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenoxy)-1-azabicyclo[3.2.1]octane is sourced from PubChem (CID 20679128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).