9-benzyl-7-(2-ethylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol

C22H27NO2 — CID 171958762

IUPAC9-benzyl-7-(2-ethylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
SMILESCCc1ccccc1C1(O)CC2COCC(C1)N2Cc1ccccc1
InChIInChI=1S/C22H27NO2/c1-2-18-10-6-7-11-21(18)22(24)12-19-15-25-16-20(13-22)23(19)14-17-8-4-3-5-9-17/h3-11,19-20,24H,2,12-16H2,1H3
InChIKeyLBIYXXYHIXKWKX-UHFFFAOYSA-N
MW337.46 g/mol
LogP3.50
Rot. Bonds4

About 9-benzyl-7-(2-ethylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol

9-benzyl-7-(2-ethylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol (PubChem CID 171958762) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is 9-benzyl-7-(2-ethylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol.

Molecular Properties

Compound Name9-benzyl-7-(2-ethylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
PubChem CID171958762
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name9-benzyl-7-(2-ethylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
SMILESCCc1ccccc1C1(O)CC2COCC(C1)N2Cc1ccccc1
InChIInChI=1S/C22H27NO2/c1-2-18-10-6-7-11-21(18)22(24)12-19-15-25-16-20(13-22)23(19)14-17-8-4-3-5-9-17/h3-11,19-20,24H,2,12-16H2,1H3
InChIKeyLBIYXXYHIXKWKX-UHFFFAOYSA-N
XLogP3.50
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-benzyl-7-(2-propan-2-ylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171961994
tert-butyl 7-(2-ethylphenyl)-7-hydroxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171958764
9-benzyl-7-(2,6-dimethyl-3-pyridinyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171957910
9-benzyl-7-(2,5-difluorophenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171958616
9-benzyl-7-(1,3-dimethylpyrazol-4-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171959441
9-benzyl-7-cyclopropyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171953238
9-benzyl-7-[2,6-di(propan-2-yl)phenyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171957196
9-benzyl-7-(3-methylbut-2-en-2-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171952918
9-benzyl-7-(4-fluorophenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171965074
9-benzyl-7-(3,5-difluorophenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171958520
9-benzyl-7-(3-methyl-2-pyridinyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171964493
9-benzyl-7-(2,2-dimethylpropyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171952771

Frequently Asked Questions

What is the IUPAC name of 9-benzyl-7-(2-ethylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The IUPAC name of 9-benzyl-7-(2-ethylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol (CID 171958762) is 9-benzyl-7-(2-ethylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol.
What is the SMILES notation for 9-benzyl-7-(2-ethylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The canonical SMILES for 9-benzyl-7-(2-ethylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol is CCc1ccccc1C1(O)CC2COCC(C1)N2Cc1ccccc1.
What is the InChIKey of 9-benzyl-7-(2-ethylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The InChIKey is LBIYXXYHIXKWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c1-2-18-10-6-7-11-21(18)22(24)12-19-15-25-16-20(13-22)23(19)14-17-8-4-3-5-9-17/h3-11,19-20,24H,2,12-16H2,1H3.
What are the key properties of 9-benzyl-7-(2-ethylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
9-benzyl-7-(2-ethylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol has a molecular weight of 337.46 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-7-(2-ethylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol is sourced from PubChem (CID 171958762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).