3-(2,4-difluoro-5-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol

C15H19F2NO — CID 171961833

IUPAC3-(2,4-difluoro-5-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCc1cc(C2(O)CC3CCCC(C2)N3)c(F)cc1F
InChIInChI=1S/C15H19F2NO/c1-9-5-12(14(17)6-13(9)16)15(19)7-10-3-2-4-11(8-15)18-10/h5-6,10-11,18-19H,2-4,7-8H2,1H3
InChIKeyMYJDQXRUOAWCNT-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.77
Rot. Bonds1

About 3-(2,4-difluoro-5-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol

3-(2,4-difluoro-5-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 171961833) has the molecular formula C15H19F2NO and a molecular weight of 267.32 g/mol. Its IUPAC name is 3-(2,4-difluoro-5-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name3-(2,4-difluoro-5-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID171961833
Molecular FormulaC15H19F2NO
Molecular Weight267.32 g/mol
Exact Mass267.14
IUPAC Name3-(2,4-difluoro-5-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCc1cc(C2(O)CC3CCCC(C2)N3)c(F)cc1F
InChIInChI=1S/C15H19F2NO/c1-9-5-12(14(17)6-13(9)16)15(19)7-10-3-2-4-11(8-15)18-10/h5-6,10-11,18-19H,2-4,7-8H2,1H3
InChIKeyMYJDQXRUOAWCNT-UHFFFAOYSA-N
XLogP2.77
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(2,4-difluoro-5-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol with MolForge

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Related Compounds

4,5-difluoro-2-(3-hydroxy-9-azabicyclo[3.3.1]nonan-3-yl)benzonitrile
CID 171954047
3-[(3-fluoro-4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171962227
3-(7-fluoroquinolin-6-yl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171962848
3-(4-fluoro-2-methoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171961519
3-[(5-fluoro-2-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171962325
3-(6-methoxy-4-methyl-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171960276
3-(5-fluoro-6-methyl-2-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171957997
3-(3-fluoro-4-methoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171961618
3-[2-fluoro-5-(trifluoromethoxy)phenyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 171956801
7-(5-fluoro-2-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171959249
3-(3,5-dimethylphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 63588116
3-(6-methoxy-4-methyl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171960266

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluoro-5-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 3-(2,4-difluoro-5-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol (CID 171961833) is 3-(2,4-difluoro-5-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 3-(2,4-difluoro-5-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 3-(2,4-difluoro-5-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol is Cc1cc(C2(O)CC3CCCC(C2)N3)c(F)cc1F.
What is the InChIKey of 3-(2,4-difluoro-5-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is MYJDQXRUOAWCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO/c1-9-5-12(14(17)6-13(9)16)15(19)7-10-3-2-4-11(8-15)18-10/h5-6,10-11,18-19H,2-4,7-8H2,1H3.
What are the key properties of 3-(2,4-difluoro-5-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol?
3-(2,4-difluoro-5-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 267.32 g/mol, XLogP of 2.77, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluoro-5-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 171961833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).