3-[2-(2-ethoxyphenoxy)ethyl]-8-azabicyclo[3.2.1]oct-2-ene

C17H23NO2 — CID 171975203

IUPAC3-[2-(2-ethoxyphenoxy)ethyl]-8-azabicyclo[3.2.1]oct-2-ene
SMILESCCOc1ccccc1OCCC1=CC2CCC(C1)N2
InChIInChI=1S/C17H23NO2/c1-2-19-16-5-3-4-6-17(16)20-10-9-13-11-14-7-8-15(12-13)18-14/h3-6,11,14-15,18H,2,7-10,12H2,1H3
InChIKeyQXCWEQNFJJAXOD-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.30
Rot. Bonds6

About 3-[2-(2-ethoxyphenoxy)ethyl]-8-azabicyclo[3.2.1]oct-2-ene

3-[2-(2-ethoxyphenoxy)ethyl]-8-azabicyclo[3.2.1]oct-2-ene (PubChem CID 171975203) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-[2-(2-ethoxyphenoxy)ethyl]-8-azabicyclo[3.2.1]oct-2-ene.

Molecular Properties

Compound Name3-[2-(2-ethoxyphenoxy)ethyl]-8-azabicyclo[3.2.1]oct-2-ene
PubChem CID171975203
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name3-[2-(2-ethoxyphenoxy)ethyl]-8-azabicyclo[3.2.1]oct-2-ene
SMILESCCOc1ccccc1OCCC1=CC2CCC(C1)N2
InChIInChI=1S/C17H23NO2/c1-2-19-16-5-3-4-6-17(16)20-10-9-13-11-14-7-8-15(12-13)18-14/h3-6,11,14-15,18H,2,7-10,12H2,1H3
InChIKeyQXCWEQNFJJAXOD-UHFFFAOYSA-N
XLogP3.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-[2-(2-ethoxyphenoxy)ethyl]-8-azabicyclo[3.2.1]oct-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-ethoxyphenoxy)ethyl]-8-azabicyclo[3.2.1]oct-2-ene?
The IUPAC name of 3-[2-(2-ethoxyphenoxy)ethyl]-8-azabicyclo[3.2.1]oct-2-ene (CID 171975203) is 3-[2-(2-ethoxyphenoxy)ethyl]-8-azabicyclo[3.2.1]oct-2-ene.
What is the SMILES notation for 3-[2-(2-ethoxyphenoxy)ethyl]-8-azabicyclo[3.2.1]oct-2-ene?
The canonical SMILES for 3-[2-(2-ethoxyphenoxy)ethyl]-8-azabicyclo[3.2.1]oct-2-ene is CCOc1ccccc1OCCC1=CC2CCC(C1)N2.
What is the InChIKey of 3-[2-(2-ethoxyphenoxy)ethyl]-8-azabicyclo[3.2.1]oct-2-ene?
The InChIKey is QXCWEQNFJJAXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-2-19-16-5-3-4-6-17(16)20-10-9-13-11-14-7-8-15(12-13)18-14/h3-6,11,14-15,18H,2,7-10,12H2,1H3.
What are the key properties of 3-[2-(2-ethoxyphenoxy)ethyl]-8-azabicyclo[3.2.1]oct-2-ene?
3-[2-(2-ethoxyphenoxy)ethyl]-8-azabicyclo[3.2.1]oct-2-ene has a molecular weight of 273.38 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-ethoxyphenoxy)ethyl]-8-azabicyclo[3.2.1]oct-2-ene is sourced from PubChem (CID 171975203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).