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

C16H20F3NO — CID 171955706

IUPAC9-methyl-3-[3-(trifluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCN1C2CCCC1CC(O)(c1cccc(C(F)(F)F)c1)C2
InChIInChI=1S/C16H20F3NO/c1-20-13-6-3-7-14(20)10-15(21,9-13)11-4-2-5-12(8-11)16(17,18)19/h2,4-5,8,13-14,21H,3,6-7,9-10H2,1H3
InChIKeyDPTGLBUGQCHZGI-UHFFFAOYSA-N
MW299.34 g/mol
LogP3.54
Rot. Bonds1

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

9-methyl-3-[3-(trifluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 171955706) has the molecular formula C16H20F3NO and a molecular weight of 299.34 g/mol. Its IUPAC name is 9-methyl-3-[3-(trifluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name9-methyl-3-[3-(trifluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID171955706
Molecular FormulaC16H20F3NO
Molecular Weight299.34 g/mol
Exact Mass299.15
IUPAC Name9-methyl-3-[3-(trifluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCN1C2CCCC1CC(O)(c1cccc(C(F)(F)F)c1)C2
InChIInChI=1S/C16H20F3NO/c1-20-13-6-3-7-14(20)10-15(21,9-13)11-4-2-5-12(8-11)16(17,18)19/h2,4-5,8,13-14,21H,3,6-7,9-10H2,1H3
InChIKeyDPTGLBUGQCHZGI-UHFFFAOYSA-N
XLogP3.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-methyl-3-[5-(trifluoromethyl)-3-pyridinyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171954521
9-methyl-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171959680
9-methyl-3-[2-methyl-5-(trifluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171963965
3-[3-(trifluoromethyl)phenyl]-8-thiabicyclo[3.2.1]octan-3-ol
CID 171955702
8-methyl-3-[3-methyl-5-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 171964029
3-[3-fluoro-5-(trifluoromethyl)phenyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171963659
8-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 171963930
9-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171954546
1-methyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol;hydroiodide
CID 171929292
9-methyl-3-[4-(trifluoromethoxy)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171963371
cis-(1R,3R)-3-amino-1-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol
CID 139444270
(1R,3S,4S)-3,4-diamino-1-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol;dihydrochloride
CID 139433706

Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-[3-(trifluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 9-methyl-3-[3-(trifluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol (CID 171955706) is 9-methyl-3-[3-(trifluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 9-methyl-3-[3-(trifluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 9-methyl-3-[3-(trifluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol is CN1C2CCCC1CC(O)(c1cccc(C(F)(F)F)c1)C2.
What is the InChIKey of 9-methyl-3-[3-(trifluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is DPTGLBUGQCHZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO/c1-20-13-6-3-7-14(20)10-15(21,9-13)11-4-2-5-12(8-11)16(17,18)19/h2,4-5,8,13-14,21H,3,6-7,9-10H2,1H3.
What are the key properties of 9-methyl-3-[3-(trifluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol?
9-methyl-3-[3-(trifluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 299.34 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-[3-(trifluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 171955706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).