7-(2,6-diethyl-4-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol

C18H27NO2 — CID 171963875

IUPAC7-(2,6-diethyl-4-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
SMILESCCc1cc(C)cc(CC)c1C1(O)CC2COCC(C1)N2
InChIInChI=1S/C18H27NO2/c1-4-13-6-12(3)7-14(5-2)17(13)18(20)8-15-10-21-11-16(9-18)19-15/h6-7,15-16,19-20H,4-5,8-11H2,1-3H3
InChIKeyJYLWQUZGNAXLCM-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.46
Rot. Bonds3

About 7-(2,6-diethyl-4-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol

7-(2,6-diethyl-4-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol (PubChem CID 171963875) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 7-(2,6-diethyl-4-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol.

Molecular Properties

Compound Name7-(2,6-diethyl-4-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
PubChem CID171963875
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name7-(2,6-diethyl-4-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
SMILESCCc1cc(C)cc(CC)c1C1(O)CC2COCC(C1)N2
InChIInChI=1S/C18H27NO2/c1-4-13-6-12(3)7-14(5-2)17(13)18(20)8-15-10-21-11-16(9-18)19-15/h6-7,15-16,19-20H,4-5,8-11H2,1-3H3
InChIKeyJYLWQUZGNAXLCM-UHFFFAOYSA-N
XLogP2.46
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(2,6-diethyl-4-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The IUPAC name of 7-(2,6-diethyl-4-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol (CID 171963875) is 7-(2,6-diethyl-4-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol.
What is the SMILES notation for 7-(2,6-diethyl-4-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The canonical SMILES for 7-(2,6-diethyl-4-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol is CCc1cc(C)cc(CC)c1C1(O)CC2COCC(C1)N2.
What is the InChIKey of 7-(2,6-diethyl-4-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The InChIKey is JYLWQUZGNAXLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-4-13-6-12(3)7-14(5-2)17(13)18(20)8-15-10-21-11-16(9-18)19-15/h6-7,15-16,19-20H,4-5,8-11H2,1-3H3.
What are the key properties of 7-(2,6-diethyl-4-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
7-(2,6-diethyl-4-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol has a molecular weight of 289.42 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,6-diethyl-4-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol is sourced from PubChem (CID 171963875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).