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

C14H19NO2 — CID 171965027

IUPAC7-(2-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
SMILESCc1ccccc1C1(O)CC2COCC(C1)N2
InChIInChI=1S/C14H19NO2/c1-10-4-2-3-5-13(10)14(16)6-11-8-17-9-12(7-14)15-11/h2-5,11-12,15-16H,6-9H2,1H3
InChIKeyBEBFIYGMFHVRHT-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.33
Rot. Bonds1

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

7-(2-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol (PubChem CID 171965027) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 7-(2-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol.

Molecular Properties

Compound Name7-(2-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
PubChem CID171965027
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name7-(2-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
SMILESCc1ccccc1C1(O)CC2COCC(C1)N2
InChIInChI=1S/C14H19NO2/c1-10-4-2-3-5-13(10)14(16)6-11-8-17-9-12(7-14)15-11/h2-5,11-12,15-16H,6-9H2,1H3
InChIKeyBEBFIYGMFHVRHT-UHFFFAOYSA-N
XLogP1.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-(5-fluoro-2-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171959249
7-[2-(difluoromethyl)phenyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171961917
7-(1H-inden-2-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171960136
7-(2,6-diethyl-4-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171963875
7-(1-methylpyrazol-3-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171951809
3-(2-propoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 104658545
7-(2,3,5,6-tetrafluorophenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171955369
7-(5-fluoro-2-methoxy-3-pyridinyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171960385
2-[(7-hydroxy-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methyl]benzonitrile
CID 171960760
7-[6-(trifluoromethyl)-2-pyridinyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171954455
7-pyrazolo[1,5-a]pyrimidin-6-yl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171959788
7-[2-(difluoromethoxy)-6-fluorophenyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171963428

Frequently Asked Questions

What is the IUPAC name of 7-(2-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The IUPAC name of 7-(2-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol (CID 171965027) is 7-(2-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol.
What is the SMILES notation for 7-(2-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The canonical SMILES for 7-(2-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol is Cc1ccccc1C1(O)CC2COCC(C1)N2.
What is the InChIKey of 7-(2-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The InChIKey is BEBFIYGMFHVRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10-4-2-3-5-13(10)14(16)6-11-8-17-9-12(7-14)15-11/h2-5,11-12,15-16H,6-9H2,1H3.
What are the key properties of 7-(2-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
7-(2-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol has a molecular weight of 233.31 g/mol, XLogP of 1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol is sourced from PubChem (CID 171965027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).