9-methyl-7-(2,4,5-trimethylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol

C17H25NO2 — CID 171962017

IUPAC9-methyl-7-(2,4,5-trimethylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
SMILESCc1cc(C)c(C2(O)CC3COCC(C2)N3C)cc1C
InChIInChI=1S/C17H25NO2/c1-11-5-13(3)16(6-12(11)2)17(19)7-14-9-20-10-15(8-17)18(14)4/h5-6,14-15,19H,7-10H2,1-4H3
InChIKeyZONUIRLPOHKFFW-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.29
Rot. Bonds1

About 9-methyl-7-(2,4,5-trimethylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol

9-methyl-7-(2,4,5-trimethylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol (PubChem CID 171962017) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 9-methyl-7-(2,4,5-trimethylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol.

Molecular Properties

Compound Name9-methyl-7-(2,4,5-trimethylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
PubChem CID171962017
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name9-methyl-7-(2,4,5-trimethylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
SMILESCc1cc(C)c(C2(O)CC3COCC(C2)N3C)cc1C
InChIInChI=1S/C17H25NO2/c1-11-5-13(3)16(6-12(11)2)17(19)7-14-9-20-10-15(8-17)18(14)4/h5-6,14-15,19H,7-10H2,1-4H3
InChIKeyZONUIRLPOHKFFW-UHFFFAOYSA-N
XLogP2.29
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-7-(2,4,5-trimethylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The IUPAC name of 9-methyl-7-(2,4,5-trimethylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol (CID 171962017) is 9-methyl-7-(2,4,5-trimethylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol.
What is the SMILES notation for 9-methyl-7-(2,4,5-trimethylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The canonical SMILES for 9-methyl-7-(2,4,5-trimethylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol is Cc1cc(C)c(C2(O)CC3COCC(C2)N3C)cc1C.
What is the InChIKey of 9-methyl-7-(2,4,5-trimethylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The InChIKey is ZONUIRLPOHKFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-11-5-13(3)16(6-12(11)2)17(19)7-14-9-20-10-15(8-17)18(14)4/h5-6,14-15,19H,7-10H2,1-4H3.
What are the key properties of 9-methyl-7-(2,4,5-trimethylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
9-methyl-7-(2,4,5-trimethylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol has a molecular weight of 275.39 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-7-(2,4,5-trimethylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol is sourced from PubChem (CID 171962017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).