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

C15H18F3NO — CID 171964053

IUPAC3-[3-methyl-4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCc1cc(C2(O)CC3CCC(C2)N3)ccc1C(F)(F)F
InChIInChI=1S/C15H18F3NO/c1-9-6-10(2-5-13(9)15(16,17)18)14(20)7-11-3-4-12(8-14)19-11/h2,5-6,11-12,19-20H,3-4,7-8H2,1H3
InChIKeyVEHILJDNEQWZSS-UHFFFAOYSA-N
MW285.31 g/mol
LogP3.12
Rot. Bonds1

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

3-[3-methyl-4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 171964053) has the molecular formula C15H18F3NO and a molecular weight of 285.31 g/mol. Its IUPAC name is 3-[3-methyl-4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-[3-methyl-4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID171964053
Molecular FormulaC15H18F3NO
Molecular Weight285.31 g/mol
Exact Mass285.13
IUPAC Name3-[3-methyl-4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCc1cc(C2(O)CC3CCC(C2)N3)ccc1C(F)(F)F
InChIInChI=1S/C15H18F3NO/c1-9-6-10(2-5-13(9)15(16,17)18)14(20)7-11-3-4-12(8-14)19-11/h2,5-6,11-12,19-20H,3-4,7-8H2,1H3
InChIKeyVEHILJDNEQWZSS-UHFFFAOYSA-N
XLogP3.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,5-dimethylphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 63588116
3-(3,4-dimethylphenyl)-3-fluoro-8-azabicyclo[3.2.1]octane
CID 112564717
3-(1-methylindol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171956282
3-(3-propan-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171961948
3-(4-butylphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171955400
3-[3-(trifluoromethyl)-2-pyridinyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171954470
3-(3-fluoro-4-methoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171961618
1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-propan-2-ylcyclobutan-1-ol
CID 107287922
3-(3-tert-butylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171955385
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171963021
3-fluoro-3-[2-methyl-4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octane
CID 102756584
3-[3-methoxy-4-(trifluoromethyl)phenyl]-8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-ol
CID 171956959

Frequently Asked Questions

What is the IUPAC name of 3-[3-methyl-4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-[3-methyl-4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 171964053) is 3-[3-methyl-4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-[3-methyl-4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-[3-methyl-4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol is Cc1cc(C2(O)CC3CCC(C2)N3)ccc1C(F)(F)F.
What is the InChIKey of 3-[3-methyl-4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is VEHILJDNEQWZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO/c1-9-6-10(2-5-13(9)15(16,17)18)14(20)7-11-3-4-12(8-14)19-11/h2,5-6,11-12,19-20H,3-4,7-8H2,1H3.
What are the key properties of 3-[3-methyl-4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol?
3-[3-methyl-4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 285.31 g/mol, XLogP of 3.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methyl-4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171964053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).