2-(2-phenylethoxy)-1-azabicyclo[2.2.2]octane

C15H21NO — CID 154128483

IUPAC2-(2-phenylethoxy)-1-azabicyclo[2.2.2]octane
SMILESc1ccc(CCOC2CC3CCN2CC3)cc1
InChIInChI=1S/C15H21NO/c1-2-4-13(5-3-1)8-11-17-15-12-14-6-9-16(15)10-7-14/h1-5,14-15H,6-12H2
InChIKeyKTHWNZBUNSWQLS-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.69
Rot. Bonds4

About 2-(2-phenylethoxy)-1-azabicyclo[2.2.2]octane

2-(2-phenylethoxy)-1-azabicyclo[2.2.2]octane (PubChem CID 154128483) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-(2-phenylethoxy)-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name2-(2-phenylethoxy)-1-azabicyclo[2.2.2]octane
PubChem CID154128483
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2-(2-phenylethoxy)-1-azabicyclo[2.2.2]octane
SMILESc1ccc(CCOC2CC3CCN2CC3)cc1
InChIInChI=1S/C15H21NO/c1-2-4-13(5-3-1)8-11-17-15-12-14-6-9-16(15)10-7-14/h1-5,14-15H,6-12H2
InChIKeyKTHWNZBUNSWQLS-UHFFFAOYSA-N
XLogP2.69
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2-phenylethoxy)-1-azabicyclo[2.2.2]octane with MolForge

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

Launch Full Analysis

Related Compounds

1-methyl-4-(2-phenylethoxy)piperidine
CID 18722996
2-cyclobutyloxyethylbenzene
CID 54003575
CID 157461920
CID 157461920
cis-(1R,2S)-2-(2-phenylethoxy)cyclohexan-1-ol
CID 59987763
2-(2-phenylethoxy)cyclopentan-1-amine
CID 43127941
3-fluoro-4-(2-phenylethoxy)cyclohexan-1-amine
CID 69276156
2,3,5,6-tetrafluoro-4-[4-(2-phenylethoxy)piperidin-1-yl]pyridine
CID 133371798
(2S)-2-[4-(2-phenylethoxy)piperidin-1-yl]butanoic acid
CID 124623051
(2S)-2-amino-1-[4-(2-phenylethoxy)piperidin-1-yl]propan-1-one
CID 119299189
CID 58731637
CID 58731637
1-morpholin-4-yl-3-[4-(2-phenylethoxy)piperidin-1-yl]propan-2-ol
CID 110908286
[(2R,4R)-4-hydroxypyrrolidin-2-yl]-[4-(2-phenylethoxy)piperidin-1-yl]methanone
CID 125154106

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethoxy)-1-azabicyclo[2.2.2]octane?
The IUPAC name of 2-(2-phenylethoxy)-1-azabicyclo[2.2.2]octane (CID 154128483) is 2-(2-phenylethoxy)-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for 2-(2-phenylethoxy)-1-azabicyclo[2.2.2]octane?
The canonical SMILES for 2-(2-phenylethoxy)-1-azabicyclo[2.2.2]octane is c1ccc(CCOC2CC3CCN2CC3)cc1.
What is the InChIKey of 2-(2-phenylethoxy)-1-azabicyclo[2.2.2]octane?
The InChIKey is KTHWNZBUNSWQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-2-4-13(5-3-1)8-11-17-15-12-14-6-9-16(15)10-7-14/h1-5,14-15H,6-12H2.
What are the key properties of 2-(2-phenylethoxy)-1-azabicyclo[2.2.2]octane?
2-(2-phenylethoxy)-1-azabicyclo[2.2.2]octane has a molecular weight of 231.34 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethoxy)-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 154128483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).