3-(2,6-dimethoxyphenyl)-3-fluoro-8-azabicyclo[3.2.1]octane

C15H20FNO2 — CID 116811438

IUPAC3-(2,6-dimethoxyphenyl)-3-fluoro-8-azabicyclo[3.2.1]octane
SMILESCOc1cccc(OC)c1C1(F)CC2CCC(C1)N2
InChIInChI=1S/C15H20FNO2/c1-18-12-4-3-5-13(19-2)14(12)15(16)8-10-6-7-11(9-15)17-10/h3-5,10-11,17H,6-9H2,1-2H3
InChIKeyMELBNRLYLHVLPF-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.78
Rot. Bonds3

About 3-(2,6-dimethoxyphenyl)-3-fluoro-8-azabicyclo[3.2.1]octane

3-(2,6-dimethoxyphenyl)-3-fluoro-8-azabicyclo[3.2.1]octane (PubChem CID 116811438) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 3-(2,6-dimethoxyphenyl)-3-fluoro-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(2,6-dimethoxyphenyl)-3-fluoro-8-azabicyclo[3.2.1]octane
PubChem CID116811438
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name3-(2,6-dimethoxyphenyl)-3-fluoro-8-azabicyclo[3.2.1]octane
SMILESCOc1cccc(OC)c1C1(F)CC2CCC(C1)N2
InChIInChI=1S/C15H20FNO2/c1-18-12-4-3-5-13(19-2)14(12)15(16)8-10-6-7-11(9-15)17-10/h3-5,10-11,17H,6-9H2,1-2H3
InChIKeyMELBNRLYLHVLPF-UHFFFAOYSA-N
XLogP2.78
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,6-dimethoxyphenyl)-3-fluorocyclobutan-1-amine
CID 116811436
3-fluoro-3-(2-methoxy-4,6-dimethylphenyl)-8-azabicyclo[3.2.1]octane
CID 106681655
3-(2,6-difluorophenyl)-3-fluoro-8-azabicyclo[3.2.1]octane
CID 112564653
3-(2,6-dimethoxyphenyl)-3-fluoroazetidine
CID 116811435
3-(2,6-dimethoxyphenyl)-8-azabicyclo[3.2.1]octane
CID 24904304
3-fluoro-3-(5-fluoro-2-methylphenyl)-8-azabicyclo[3.2.1]octane
CID 112564470
2,2,3,3-tetrafluoro-4-methoxy-1H-indene
CID 86255415
3-(4-fluoro-2-methoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171961519
(2-hydroxy-6-methoxyphenyl)-[(1R,5S)-spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-4'-yl]methanone
CID 138379399
bismuth tris(2,6-dimethoxybenzenethiolate)
CID 15973660
2,6-dimethoxyaniline;ethane
CID 145233133
4-(2-methoxyphenyl)-2-azabicyclo[2.1.1]hexane
CID 115017877

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethoxyphenyl)-3-fluoro-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(2,6-dimethoxyphenyl)-3-fluoro-8-azabicyclo[3.2.1]octane (CID 116811438) is 3-(2,6-dimethoxyphenyl)-3-fluoro-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(2,6-dimethoxyphenyl)-3-fluoro-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(2,6-dimethoxyphenyl)-3-fluoro-8-azabicyclo[3.2.1]octane is COc1cccc(OC)c1C1(F)CC2CCC(C1)N2.
What is the InChIKey of 3-(2,6-dimethoxyphenyl)-3-fluoro-8-azabicyclo[3.2.1]octane?
The InChIKey is MELBNRLYLHVLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-18-12-4-3-5-13(19-2)14(12)15(16)8-10-6-7-11(9-15)17-10/h3-5,10-11,17H,6-9H2,1-2H3.
What are the key properties of 3-(2,6-dimethoxyphenyl)-3-fluoro-8-azabicyclo[3.2.1]octane?
3-(2,6-dimethoxyphenyl)-3-fluoro-8-azabicyclo[3.2.1]octane has a molecular weight of 265.33 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethoxyphenyl)-3-fluoro-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 116811438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).