8-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol

C16H20F3NO — CID 171963930

IUPAC8-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCc1cc(C(F)(F)F)ccc1C1(O)CC2CCC(C1)N2C
InChIInChI=1S/C16H20F3NO/c1-10-7-11(16(17,18)19)3-6-14(10)15(21)8-12-4-5-13(9-15)20(12)2/h3,6-7,12-13,21H,4-5,8-9H2,1-2H3
InChIKeyFQLUJRSEYRCIRL-UHFFFAOYSA-N
MW299.34 g/mol
LogP3.46
Rot. Bonds1

About 8-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol

8-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 171963930) has the molecular formula C16H20F3NO and a molecular weight of 299.34 g/mol. Its IUPAC name is 8-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID171963930
Molecular FormulaC16H20F3NO
Molecular Weight299.34 g/mol
Exact Mass299.15
IUPAC Name8-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCc1cc(C(F)(F)F)ccc1C1(O)CC2CCC(C1)N2C
InChIInChI=1S/C16H20F3NO/c1-10-7-11(16(17,18)19)3-6-14(10)15(21)8-12-4-5-13(9-15)20(12)2/h3,6-7,12-13,21H,4-5,8-9H2,1-2H3
InChIKeyFQLUJRSEYRCIRL-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

Analyze 8-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-methyl-3-[2-methyl-5-(trifluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171963965
3-[4-fluoro-2-(trifluoromethyl)phenyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171963783
1-cyclopropyl-3-[2-methyl-4-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 102751225
8-methyl-3-[3-methyl-5-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 171964029
3-[2-methyl-4-(trifluoromethyl)phenyl]azetidin-3-ol
CID 103863134
3-cyclopropyl-1-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-ol
CID 102751594
9-methyl-3-[3-(trifluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171955706
3-[3-fluoro-5-(trifluoromethyl)phenyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171963659
1-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]piperidin-3-ol
CID 102751806
3-(4-methoxy-2,5-dimethylphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171954908
4-hydroxy-4-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-one
CID 102751652
9-methyl-7-(2,4,5-trimethylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171962017

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 171963930) is 8-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol is Cc1cc(C(F)(F)F)ccc1C1(O)CC2CCC(C1)N2C.
What is the InChIKey of 8-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is FQLUJRSEYRCIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO/c1-10-7-11(16(17,18)19)3-6-14(10)15(21)8-12-4-5-13(9-15)20(12)2/h3,6-7,12-13,21H,4-5,8-9H2,1-2H3.
What are the key properties of 8-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-methyl-3-[2-methyl-4-(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-[2-methyl-4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171963930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).