3-(2-ethoxy-5-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol

C15H20FNO2 — CID 171955105

IUPAC3-(2-ethoxy-5-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCOc1ccc(F)cc1C1(O)CC2CCC(C1)N2
InChIInChI=1S/C15H20FNO2/c1-2-19-14-6-3-10(16)7-13(14)15(18)8-11-4-5-12(9-15)17-11/h3,6-7,11-12,17-18H,2,4-5,8-9H2,1H3
InChIKeyUHGUVNVUDYZKGA-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.33
Rot. Bonds3

About 3-(2-ethoxy-5-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol

3-(2-ethoxy-5-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 171955105) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 3-(2-ethoxy-5-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-(2-ethoxy-5-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID171955105
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name3-(2-ethoxy-5-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCOc1ccc(F)cc1C1(O)CC2CCC(C1)N2
InChIInChI=1S/C15H20FNO2/c1-2-19-14-6-3-10(16)7-13(14)15(18)8-11-4-5-12(9-15)17-11/h3,6-7,11-12,17-18H,2,4-5,8-9H2,1H3
InChIKeyUHGUVNVUDYZKGA-UHFFFAOYSA-N
XLogP2.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxy-5-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-(2-ethoxy-5-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 171955105) is 3-(2-ethoxy-5-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-(2-ethoxy-5-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-(2-ethoxy-5-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol is CCOc1ccc(F)cc1C1(O)CC2CCC(C1)N2.
What is the InChIKey of 3-(2-ethoxy-5-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is UHGUVNVUDYZKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-2-19-14-6-3-10(16)7-13(14)15(18)8-11-4-5-12(9-15)17-11/h3,6-7,11-12,17-18H,2,4-5,8-9H2,1H3.
What are the key properties of 3-(2-ethoxy-5-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol?
3-(2-ethoxy-5-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 265.33 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxy-5-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171955105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).