3-(2-propoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol

C16H23NO2 — CID 104658545

IUPAC3-(2-propoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCCOc1ccccc1C1(O)CC2CCC(C1)N2
InChIInChI=1S/C16H23NO2/c1-2-9-19-15-6-4-3-5-14(15)16(18)10-12-7-8-13(11-16)17-12/h3-6,12-13,17-18H,2,7-11H2,1H3
InChIKeyCYAXCFODKZFOKV-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.58
Rot. Bonds4

About 3-(2-propoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol

3-(2-propoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 104658545) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 3-(2-propoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-(2-propoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID104658545
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name3-(2-propoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCCOc1ccccc1C1(O)CC2CCC(C1)N2
InChIInChI=1S/C16H23NO2/c1-2-9-19-15-6-4-3-5-14(15)16(18)10-12-7-8-13(11-16)17-12/h3-6,12-13,17-18H,2,7-11H2,1H3
InChIKeyCYAXCFODKZFOKV-UHFFFAOYSA-N
XLogP2.58
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-propoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-(2-propoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 104658545) is 3-(2-propoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-(2-propoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-(2-propoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol is CCCOc1ccccc1C1(O)CC2CCC(C1)N2.
What is the InChIKey of 3-(2-propoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is CYAXCFODKZFOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-9-19-15-6-4-3-5-14(15)16(18)10-12-7-8-13(11-16)17-12/h3-6,12-13,17-18H,2,7-11H2,1H3.
What are the key properties of 3-(2-propoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol?
3-(2-propoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 261.36 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 104658545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).