3-(2-phenoxyethyl)-9-azabicyclo[3.3.1]nonan-3-ol

C16H23NO2 — CID 171961174

IUPAC3-(2-phenoxyethyl)-9-azabicyclo[3.3.1]nonan-3-ol
SMILESOC1(CCOc2ccccc2)CC2CCCC(C1)N2
InChIInChI=1S/C16H23NO2/c18-16(9-10-19-15-7-2-1-3-8-15)11-13-5-4-6-14(12-16)17-13/h1-3,7-8,13-14,17-18H,4-6,9-12H2
InChIKeyOZXKIEVZNLOKKD-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.49
Rot. Bonds4

About 3-(2-phenoxyethyl)-9-azabicyclo[3.3.1]nonan-3-ol

3-(2-phenoxyethyl)-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 171961174) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 3-(2-phenoxyethyl)-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name3-(2-phenoxyethyl)-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID171961174
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name3-(2-phenoxyethyl)-9-azabicyclo[3.3.1]nonan-3-ol
SMILESOC1(CCOc2ccccc2)CC2CCCC(C1)N2
InChIInChI=1S/C16H23NO2/c18-16(9-10-19-15-7-2-1-3-8-15)11-13-5-4-6-14(12-16)17-13/h1-3,7-8,13-14,17-18H,4-6,9-12H2
InChIKeyOZXKIEVZNLOKKD-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

9,9-dioxo-3-(2-phenoxyethyl)-9λ6-thiabicyclo[3.3.1]nonan-3-ol
CID 171961182
6-(2-phenoxyethyl)bicyclo[3.1.0]hexan-6-ol
CID 79331034
8-methyl-3-(2-phenoxyethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171961165
7-(2-phenoxyethyl)bicyclo[4.1.0]heptan-7-ol
CID 79330747
1-(9-azabicyclo[3.3.1]nonan-3-yl)-4-phenoxybutan-1-one
CID 171940778
3-[(3-phenylmethoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 171953641
8-benzyl-3-(3-phenoxypropyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171954986
1-[(2-phenoxyethylamino)methyl]cyclopentan-1-ol
CID 65111917
1-(2-phenoxyethyl)cyclopropane-1-carboxylic acid
CID 66025511
tert-butyl 3-[2-(4-fluorophenoxy)ethyl]-3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171955019
4-methyl-1-(2-phenoxyethyl)cyclohexane-1-carboxylic acid
CID 65393665
3-[2-(2-methoxyphenoxy)ethyl]-9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-ol
CID 171963550

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenoxyethyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 3-(2-phenoxyethyl)-9-azabicyclo[3.3.1]nonan-3-ol (CID 171961174) is 3-(2-phenoxyethyl)-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 3-(2-phenoxyethyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 3-(2-phenoxyethyl)-9-azabicyclo[3.3.1]nonan-3-ol is OC1(CCOc2ccccc2)CC2CCCC(C1)N2.
What is the InChIKey of 3-(2-phenoxyethyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is OZXKIEVZNLOKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c18-16(9-10-19-15-7-2-1-3-8-15)11-13-5-4-6-14(12-16)17-13/h1-3,7-8,13-14,17-18H,4-6,9-12H2.
What are the key properties of 3-(2-phenoxyethyl)-9-azabicyclo[3.3.1]nonan-3-ol?
3-(2-phenoxyethyl)-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 261.36 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenoxyethyl)-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 171961174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).