9-methyl-3-(3-propoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-ol

C18H27NO2 — CID 171954943

IUPAC9-methyl-3-(3-propoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCCCOc1cccc(C2(O)CC3CCCC(C2)N3C)c1
InChIInChI=1S/C18H27NO2/c1-3-10-21-17-9-4-6-14(11-17)18(20)12-15-7-5-8-16(13-18)19(15)2/h4,6,9,11,15-16,20H,3,5,7-8,10,12-13H2,1-2H3
InChIKeyNAARYGAWHRSHBV-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.31
Rot. Bonds4

About 9-methyl-3-(3-propoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-ol

9-methyl-3-(3-propoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 171954943) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 9-methyl-3-(3-propoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name9-methyl-3-(3-propoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID171954943
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name9-methyl-3-(3-propoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCCCOc1cccc(C2(O)CC3CCCC(C2)N3C)c1
InChIInChI=1S/C18H27NO2/c1-3-10-21-17-9-4-6-14(11-17)18(20)12-15-7-5-8-16(13-18)19(15)2/h4,6,9,11,15-16,20H,3,5,7-8,10,12-13H2,1-2H3
InChIKeyNAARYGAWHRSHBV-UHFFFAOYSA-N
XLogP3.31
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-methyl-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171959680
9H-fluoren-9-ylmethyl 3-hydroxy-3-(3-propoxyphenyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171954935
9-methyl-3-[3-(trifluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171955706
3-(3-ethoxyphenyl)-1,5-dimethylpyrrolidin-3-ol
CID 81468134
3-(4-fluoro-3-methoxyphenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171961446
9-methyl-3-[4-(trifluoromethoxy)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171963371
1-[(3-propoxyphenoxy)methyl]cyclopentan-1-ol
CID 69097510
8-methyl-3-(2-phenoxyethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171961165
3-(6-methoxy-3-pyridinyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171957753
1-[(3-propoxyphenoxy)methyl]cyclohexan-1-ol
CID 69097328
7-ethyl-1-(3-methoxyphenyl)-6-methyl-6-azabicyclo[3.2.1]octane;hydrobromide
CID 74070212
2-fluoro-4-(3-hydroxy-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzonitrile
CID 171960877

Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-(3-propoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 9-methyl-3-(3-propoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-ol (CID 171954943) is 9-methyl-3-(3-propoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 9-methyl-3-(3-propoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 9-methyl-3-(3-propoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-ol is CCCOc1cccc(C2(O)CC3CCCC(C2)N3C)c1.
What is the InChIKey of 9-methyl-3-(3-propoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is NAARYGAWHRSHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-3-10-21-17-9-4-6-14(11-17)18(20)12-15-7-5-8-16(13-18)19(15)2/h4,6,9,11,15-16,20H,3,5,7-8,10,12-13H2,1-2H3.
What are the key properties of 9-methyl-3-(3-propoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-ol?
9-methyl-3-(3-propoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 289.42 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-(3-propoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 171954943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).