3-(2-fluoro-3-methylphenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol

C16H22FNO — CID 171959192

IUPAC3-(2-fluoro-3-methylphenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCc1cccc(C2(O)CC3CCCC(C2)N3C)c1F
InChIInChI=1S/C16H22FNO/c1-11-5-3-8-14(15(11)17)16(19)9-12-6-4-7-13(10-16)18(12)2/h3,5,8,12-13,19H,4,6-7,9-10H2,1-2H3
InChIKeyUDUOVBHGGKLKNG-UHFFFAOYSA-N
MW263.36 g/mol
LogP2.97
Rot. Bonds1

About 3-(2-fluoro-3-methylphenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol

3-(2-fluoro-3-methylphenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 171959192) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 3-(2-fluoro-3-methylphenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name3-(2-fluoro-3-methylphenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID171959192
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name3-(2-fluoro-3-methylphenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCc1cccc(C2(O)CC3CCCC(C2)N3C)c1F
InChIInChI=1S/C16H22FNO/c1-11-5-3-8-14(15(11)17)16(19)9-12-6-4-7-13(10-16)18(12)2/h3,5,8,12-13,19H,4,6-7,9-10H2,1-2H3
InChIKeyUDUOVBHGGKLKNG-UHFFFAOYSA-N
XLogP2.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-methyl-3-(2,3,4-trifluorophenyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171962475
3-(2-fluoro-3-methylphenyl)-8-oxabicyclo[3.2.1]octan-3-ol
CID 171959187
9-methyl-3-[2-methyl-5-(trifluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171963965
1-(2-fluoro-3-methylphenyl)cyclopropan-1-ol
CID 81477688
3-(2-fluoro-6-methoxyphenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171961471
3-(2-methoxy-3-pyridinyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171957630
tert-butyl 3-(2,3-difluorophenyl)-3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171958536
8-methyl-3-(2,3,5-trifluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171962490
9-methyl-3-[3-(trifluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171955706
3-[(3-fluoro-4-methylphenyl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171962228
8-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 171963930
8-methyl-3-quinolin-5-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 171955990

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-3-methylphenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 3-(2-fluoro-3-methylphenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol (CID 171959192) is 3-(2-fluoro-3-methylphenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 3-(2-fluoro-3-methylphenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 3-(2-fluoro-3-methylphenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol is Cc1cccc(C2(O)CC3CCCC(C2)N3C)c1F.
What is the InChIKey of 3-(2-fluoro-3-methylphenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is UDUOVBHGGKLKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-11-5-3-8-14(15(11)17)16(19)9-12-6-4-7-13(10-16)18(12)2/h3,5,8,12-13,19H,4,6-7,9-10H2,1-2H3.
What are the key properties of 3-(2-fluoro-3-methylphenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol?
3-(2-fluoro-3-methylphenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 263.36 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-3-methylphenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 171959192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).