3-[(2-fluorophenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol

C15H20FNO — CID 171959060

IUPAC3-[(2-fluorophenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCN1C2CCC1CC(O)(Cc1ccccc1F)C2
InChIInChI=1S/C15H20FNO/c1-17-12-6-7-13(17)10-15(18,9-12)8-11-4-2-3-5-14(11)16/h2-5,12-13,18H,6-10H2,1H3
InChIKeyBWCDAIXDZMTLRI-UHFFFAOYSA-N
MW249.33 g/mol
LogP2.36
Rot. Bonds2

About 3-[(2-fluorophenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol

3-[(2-fluorophenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 171959060) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID171959060
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name3-[(2-fluorophenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCN1C2CCC1CC(O)(Cc1ccccc1F)C2
InChIInChI=1S/C15H20FNO/c1-17-12-6-7-13(17)10-15(18,9-12)8-11-4-2-3-5-14(11)16/h2-5,12-13,18H,6-10H2,1H3
InChIKeyBWCDAIXDZMTLRI-UHFFFAOYSA-N
XLogP2.36
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-benzyl-3-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 171959064
3-fluoro-4-[(3-hydroxy-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methyl]benzonitrile
CID 171954248
3-[(2-fluorophenyl)methyl]-9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-ol
CID 171959076
8-methyl-3-(pyridin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171959372
3-amino-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol
CID 67983841
3-[(3-fluoro-4-methylphenyl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171962228
4-ethyl-1-[(2-fluorophenyl)methyl]cycloheptan-1-ol
CID 65085739
1-[(2-fluorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 54919417
2-(2-fluorophenyl)-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide
CID 11888542
2-[2-fluoro-5-(3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl)phenyl]acetonitrile
CID 171954263
2-[[3-[(2,4-difluorophenyl)methyl]-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methyl]benzoic acid
CID 136557959
3-(2-fluoroanilino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 60993756

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-[(2-fluorophenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol (CID 171959060) is 3-[(2-fluorophenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-[(2-fluorophenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-[(2-fluorophenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol is CN1C2CCC1CC(O)(Cc1ccccc1F)C2.
What is the InChIKey of 3-[(2-fluorophenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is BWCDAIXDZMTLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c1-17-12-6-7-13(17)10-15(18,9-12)8-11-4-2-3-5-14(11)16/h2-5,12-13,18H,6-10H2,1H3.
What are the key properties of 3-[(2-fluorophenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol?
3-[(2-fluorophenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 249.33 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171959060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).