9-methyl-3-[2-methyl-5-(trifluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol

C17H22F3NO — CID 171963965

IUPAC9-methyl-3-[2-methyl-5-(trifluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCc1ccc(C(F)(F)F)cc1C1(O)CC2CCCC(C1)N2C
InChIInChI=1S/C17H22F3NO/c1-11-6-7-12(17(18,19)20)8-15(11)16(22)9-13-4-3-5-14(10-16)21(13)2/h6-8,13-14,22H,3-5,9-10H2,1-2H3
InChIKeyLPJPFZFVYHAWLG-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.85
Rot. Bonds1

About 9-methyl-3-[2-methyl-5-(trifluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol

9-methyl-3-[2-methyl-5-(trifluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 171963965) has the molecular formula C17H22F3NO and a molecular weight of 313.36 g/mol. Its IUPAC name is 9-methyl-3-[2-methyl-5-(trifluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name9-methyl-3-[2-methyl-5-(trifluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID171963965
Molecular FormulaC17H22F3NO
Molecular Weight313.36 g/mol
Exact Mass313.17
IUPAC Name9-methyl-3-[2-methyl-5-(trifluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCc1ccc(C(F)(F)F)cc1C1(O)CC2CCCC(C1)N2C
InChIInChI=1S/C17H22F3NO/c1-11-6-7-12(17(18,19)20)8-15(11)16(22)9-13-4-3-5-14(10-16)21(13)2/h6-8,13-14,22H,3-5,9-10H2,1-2H3
InChIKeyLPJPFZFVYHAWLG-UHFFFAOYSA-N
XLogP3.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 171963930
3-[2-methyl-5-(trifluoromethyl)phenyl]-8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-ol
CID 171963963
9-methyl-3-[3-(trifluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171955706
3-(2-fluoro-3-methylphenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171959192
9-methyl-3-[5-(trifluoromethyl)-3-pyridinyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171954521
3-[4-fluoro-2-(trifluoromethyl)phenyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171963783
8-methyl-3-[3-methyl-5-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 171964029
9-methyl-3-(2,3,4-trifluorophenyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171962475
3-[3-fluoro-5-(trifluoromethyl)phenyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171963659
9-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171954546
3-[(3-fluoro-4-methylphenyl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171962228
9-methyl-3-[4-(trifluoromethoxy)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171963371

Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-[2-methyl-5-(trifluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 9-methyl-3-[2-methyl-5-(trifluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol (CID 171963965) is 9-methyl-3-[2-methyl-5-(trifluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 9-methyl-3-[2-methyl-5-(trifluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 9-methyl-3-[2-methyl-5-(trifluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol is Cc1ccc(C(F)(F)F)cc1C1(O)CC2CCCC(C1)N2C.
What is the InChIKey of 9-methyl-3-[2-methyl-5-(trifluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is LPJPFZFVYHAWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3NO/c1-11-6-7-12(17(18,19)20)8-15(11)16(22)9-13-4-3-5-14(10-16)21(13)2/h6-8,13-14,22H,3-5,9-10H2,1-2H3.
What are the key properties of 9-methyl-3-[2-methyl-5-(trifluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol?
9-methyl-3-[2-methyl-5-(trifluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 313.36 g/mol, XLogP of 3.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-[2-methyl-5-(trifluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 171963965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).