8-methyl-3-[3-methyl-5-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol

C16H20F3NO — CID 171964029

IUPAC8-methyl-3-[3-methyl-5-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCc1cc(C(F)(F)F)cc(C2(O)CC3CCC(C2)N3C)c1
InChIInChI=1S/C16H20F3NO/c1-10-5-11(7-12(6-10)16(17,18)19)15(21)8-13-3-4-14(9-15)20(13)2/h5-7,13-14,21H,3-4,8-9H2,1-2H3
InChIKeyZPFIIHUMEGZAPJ-UHFFFAOYSA-N
MW299.34 g/mol
LogP3.46
Rot. Bonds1

About 8-methyl-3-[3-methyl-5-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol

8-methyl-3-[3-methyl-5-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 171964029) has the molecular formula C16H20F3NO and a molecular weight of 299.34 g/mol. Its IUPAC name is 8-methyl-3-[3-methyl-5-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-methyl-3-[3-methyl-5-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID171964029
Molecular FormulaC16H20F3NO
Molecular Weight299.34 g/mol
Exact Mass299.15
IUPAC Name8-methyl-3-[3-methyl-5-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCc1cc(C(F)(F)F)cc(C2(O)CC3CCC(C2)N3C)c1
InChIInChI=1S/C16H20F3NO/c1-10-5-11(7-12(6-10)16(17,18)19)15(21)8-13-3-4-14(9-15)20(13)2/h5-7,13-14,21H,3-4,8-9H2,1-2H3
InChIKeyZPFIIHUMEGZAPJ-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-fluoro-5-(trifluoromethyl)phenyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171963659
9-methyl-3-[3-(trifluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171955706
8-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 171963930
9-methyl-3-[5-(trifluoromethyl)-3-pyridinyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171954521
3-[3-methyl-5-(trifluoromethyl)phenyl]-9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-ol
CID 171964045
3-(2,6-dimethyl-4-pyridinyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171957840
7-[3-methoxy-5-(trifluoromethyl)phenyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171956946
9-methyl-3-[2-methyl-5-(trifluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171963965
9-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171954546
3-[4-fluoro-2-(trifluoromethyl)phenyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171963783
9-methyl-3-[4-(trifluoromethoxy)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171963371
3-[3,5-bis(trifluoromethyl)phenyl]-8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-ol
CID 171953846

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-[3-methyl-5-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-methyl-3-[3-methyl-5-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 171964029) is 8-methyl-3-[3-methyl-5-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-methyl-3-[3-methyl-5-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-methyl-3-[3-methyl-5-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol is Cc1cc(C(F)(F)F)cc(C2(O)CC3CCC(C2)N3C)c1.
What is the InChIKey of 8-methyl-3-[3-methyl-5-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is ZPFIIHUMEGZAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO/c1-10-5-11(7-12(6-10)16(17,18)19)15(21)8-13-3-4-14(9-15)20(13)2/h5-7,13-14,21H,3-4,8-9H2,1-2H3.
What are the key properties of 8-methyl-3-[3-methyl-5-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-methyl-3-[3-methyl-5-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 299.34 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-[3-methyl-5-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171964029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).