4-[(5-fluoro-2-methylphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol

C15H20FNO — CID 105373052

IUPAC4-[(5-fluoro-2-methylphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol
SMILESCc1ccc(F)cc1CC1(O)CCN2CCC1C2
InChIInChI=1S/C15H20FNO/c1-11-2-3-14(16)8-12(11)9-15(18)5-7-17-6-4-13(15)10-17/h2-3,8,13,18H,4-7,9-10H2,1H3
InChIKeyXUMWMYTZIKVQSU-UHFFFAOYSA-N
MW249.33 g/mol
LogP2.13
Rot. Bonds2

About 4-[(5-fluoro-2-methylphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol

4-[(5-fluoro-2-methylphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol (PubChem CID 105373052) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is 4-[(5-fluoro-2-methylphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol.

Molecular Properties

Compound Name4-[(5-fluoro-2-methylphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol
PubChem CID105373052
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name4-[(5-fluoro-2-methylphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol
SMILESCc1ccc(F)cc1CC1(O)CCN2CCC1C2
InChIInChI=1S/C15H20FNO/c1-11-2-3-14(16)8-12(11)9-15(18)5-7-17-6-4-13(15)10-17/h2-3,8,13,18H,4-7,9-10H2,1H3
InChIKeyXUMWMYTZIKVQSU-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-bromo-5-fluorophenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol
CID 105365802
4-[(3-chloro-2-fluorophenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol
CID 102857072
3-amino-1-[(5-fluoro-2-methylphenyl)methyl]cyclobutan-1-ol
CID 105372944
1-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-ol
CID 105372690
4-[(4-propan-2-ylphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol
CID 105365757
4-[(2-amino-3-pyridinyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol
CID 105365930
3-[(5-fluoro-2-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171962325
4-[(5-chlorothiophen-2-yl)methyl]-1-azabicyclo[3.2.1]octan-4-ol
CID 105365921
1-[(5-fluoro-2-methylphenyl)methyl]-4,4-dimethylcyclohexane-1-carboxylic acid
CID 105375889
5-fluoro-1-[(5-fluoro-2-methylphenyl)methyl]-2,3-dihydroinden-1-ol
CID 105373031
[1-[(5-fluoro-2-methylphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
CID 105375873
[1-[(5-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methanol
CID 115970131

Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-2-methylphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol?
The IUPAC name of 4-[(5-fluoro-2-methylphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol (CID 105373052) is 4-[(5-fluoro-2-methylphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol.
What is the SMILES notation for 4-[(5-fluoro-2-methylphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol?
The canonical SMILES for 4-[(5-fluoro-2-methylphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol is Cc1ccc(F)cc1CC1(O)CCN2CCC1C2.
What is the InChIKey of 4-[(5-fluoro-2-methylphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol?
The InChIKey is XUMWMYTZIKVQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c1-11-2-3-14(16)8-12(11)9-15(18)5-7-17-6-4-13(15)10-17/h2-3,8,13,18H,4-7,9-10H2,1H3.
What are the key properties of 4-[(5-fluoro-2-methylphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol?
4-[(5-fluoro-2-methylphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol has a molecular weight of 249.33 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-2-methylphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol is sourced from PubChem (CID 105373052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).