3-fluoro-3-(2-methoxy-4,6-dimethylphenyl)-8-azabicyclo[3.2.1]octane

C16H22FNO — CID 106681655

IUPAC3-fluoro-3-(2-methoxy-4,6-dimethylphenyl)-8-azabicyclo[3.2.1]octane
SMILESCOc1cc(C)cc(C)c1C1(F)CC2CCC(C1)N2
InChIInChI=1S/C16H22FNO/c1-10-6-11(2)15(14(7-10)19-3)16(17)8-12-4-5-13(9-16)18-12/h6-7,12-13,18H,4-5,8-9H2,1-3H3
InChIKeyRQAMZDYTALRNGC-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.39
Rot. Bonds2

About 3-fluoro-3-(2-methoxy-4,6-dimethylphenyl)-8-azabicyclo[3.2.1]octane

3-fluoro-3-(2-methoxy-4,6-dimethylphenyl)-8-azabicyclo[3.2.1]octane (PubChem CID 106681655) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 3-fluoro-3-(2-methoxy-4,6-dimethylphenyl)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-fluoro-3-(2-methoxy-4,6-dimethylphenyl)-8-azabicyclo[3.2.1]octane
PubChem CID106681655
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name3-fluoro-3-(2-methoxy-4,6-dimethylphenyl)-8-azabicyclo[3.2.1]octane
SMILESCOc1cc(C)cc(C)c1C1(F)CC2CCC(C1)N2
InChIInChI=1S/C16H22FNO/c1-10-6-11(2)15(14(7-10)19-3)16(17)8-12-4-5-13(9-16)18-12/h6-7,12-13,18H,4-5,8-9H2,1-3H3
InChIKeyRQAMZDYTALRNGC-UHFFFAOYSA-N
XLogP3.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(2-methoxy-4,6-dimethylphenyl)-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-fluoro-3-(2-methoxy-4,6-dimethylphenyl)-8-azabicyclo[3.2.1]octane (CID 106681655) is 3-fluoro-3-(2-methoxy-4,6-dimethylphenyl)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-fluoro-3-(2-methoxy-4,6-dimethylphenyl)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-fluoro-3-(2-methoxy-4,6-dimethylphenyl)-8-azabicyclo[3.2.1]octane is COc1cc(C)cc(C)c1C1(F)CC2CCC(C1)N2.
What is the InChIKey of 3-fluoro-3-(2-methoxy-4,6-dimethylphenyl)-8-azabicyclo[3.2.1]octane?
The InChIKey is RQAMZDYTALRNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-10-6-11(2)15(14(7-10)19-3)16(17)8-12-4-5-13(9-16)18-12/h6-7,12-13,18H,4-5,8-9H2,1-3H3.
What are the key properties of 3-fluoro-3-(2-methoxy-4,6-dimethylphenyl)-8-azabicyclo[3.2.1]octane?
3-fluoro-3-(2-methoxy-4,6-dimethylphenyl)-8-azabicyclo[3.2.1]octane has a molecular weight of 263.36 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(2-methoxy-4,6-dimethylphenyl)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 106681655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).