2-(1-azabicyclo[2.2.2]octan-3-yl)-1-(4-fluorophenyl)-1-(2-methylphenyl)ethanol

C22H26FNO — CID 123644092

IUPAC2-(1-azabicyclo[2.2.2]octan-3-yl)-1-(4-fluorophenyl)-1-(2-methylphenyl)ethanol
SMILESCc1ccccc1C(O)(CC1CN2CCC1CC2)c1ccc(F)cc1
InChIInChI=1S/C22H26FNO/c1-16-4-2-3-5-21(16)22(25,19-6-8-20(23)9-7-19)14-18-15-24-12-10-17(18)11-13-24/h2-9,17-18,25H,10-15H2,1H3
InChIKeyUOEXYBKUWBNLIU-UHFFFAOYSA-N
MW339.45 g/mol
LogP4.10
Rot. Bonds4

About 2-(1-azabicyclo[2.2.2]octan-3-yl)-1-(4-fluorophenyl)-1-(2-methylphenyl)ethanol

2-(1-azabicyclo[2.2.2]octan-3-yl)-1-(4-fluorophenyl)-1-(2-methylphenyl)ethanol (PubChem CID 123644092) has the molecular formula C22H26FNO and a molecular weight of 339.45 g/mol. Its IUPAC name is 2-(1-azabicyclo[2.2.2]octan-3-yl)-1-(4-fluorophenyl)-1-(2-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(1-azabicyclo[2.2.2]octan-3-yl)-1-(4-fluorophenyl)-1-(2-methylphenyl)ethanol
PubChem CID123644092
Molecular FormulaC22H26FNO
Molecular Weight339.45 g/mol
Exact Mass339.20
IUPAC Name2-(1-azabicyclo[2.2.2]octan-3-yl)-1-(4-fluorophenyl)-1-(2-methylphenyl)ethanol
SMILESCc1ccccc1C(O)(CC1CN2CCC1CC2)c1ccc(F)cc1
InChIInChI=1S/C22H26FNO/c1-16-4-2-3-5-21(16)22(25,19-6-8-20(23)9-7-19)14-18-15-24-12-10-17(18)11-13-24/h2-9,17-18,25H,10-15H2,1H3
InChIKeyUOEXYBKUWBNLIU-UHFFFAOYSA-N
XLogP4.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-azabicyclo[2.2.2]octan-3-yl)-1-(4-fluorophenyl)-1-(2-methylphenyl)ethanol?
The IUPAC name of 2-(1-azabicyclo[2.2.2]octan-3-yl)-1-(4-fluorophenyl)-1-(2-methylphenyl)ethanol (CID 123644092) is 2-(1-azabicyclo[2.2.2]octan-3-yl)-1-(4-fluorophenyl)-1-(2-methylphenyl)ethanol.
What is the SMILES notation for 2-(1-azabicyclo[2.2.2]octan-3-yl)-1-(4-fluorophenyl)-1-(2-methylphenyl)ethanol?
The canonical SMILES for 2-(1-azabicyclo[2.2.2]octan-3-yl)-1-(4-fluorophenyl)-1-(2-methylphenyl)ethanol is Cc1ccccc1C(O)(CC1CN2CCC1CC2)c1ccc(F)cc1.
What is the InChIKey of 2-(1-azabicyclo[2.2.2]octan-3-yl)-1-(4-fluorophenyl)-1-(2-methylphenyl)ethanol?
The InChIKey is UOEXYBKUWBNLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FNO/c1-16-4-2-3-5-21(16)22(25,19-6-8-20(23)9-7-19)14-18-15-24-12-10-17(18)11-13-24/h2-9,17-18,25H,10-15H2,1H3.
What are the key properties of 2-(1-azabicyclo[2.2.2]octan-3-yl)-1-(4-fluorophenyl)-1-(2-methylphenyl)ethanol?
2-(1-azabicyclo[2.2.2]octan-3-yl)-1-(4-fluorophenyl)-1-(2-methylphenyl)ethanol has a molecular weight of 339.45 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-azabicyclo[2.2.2]octan-3-yl)-1-(4-fluorophenyl)-1-(2-methylphenyl)ethanol is sourced from PubChem (CID 123644092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).