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

C15H20FN — CID 112564717

IUPAC3-(3,4-dimethylphenyl)-3-fluoro-8-azabicyclo[3.2.1]octane
SMILESCc1ccc(C2(F)CC3CCC(C2)N3)cc1C
InChIInChI=1S/C15H20FN/c1-10-3-4-12(7-11(10)2)15(16)8-13-5-6-14(9-15)17-13/h3-4,7,13-14,17H,5-6,8-9H2,1-2H3
InChIKeyQRGZDNYWHIFKSM-UHFFFAOYSA-N
MW233.33 g/mol
LogP3.38
Rot. Bonds1

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

3-(3,4-dimethylphenyl)-3-fluoro-8-azabicyclo[3.2.1]octane (PubChem CID 112564717) has the molecular formula C15H20FN and a molecular weight of 233.33 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-3-fluoro-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-3-fluoro-8-azabicyclo[3.2.1]octane
PubChem CID112564717
Molecular FormulaC15H20FN
Molecular Weight233.33 g/mol
Exact Mass233.16
IUPAC Name3-(3,4-dimethylphenyl)-3-fluoro-8-azabicyclo[3.2.1]octane
SMILESCc1ccc(C2(F)CC3CCC(C2)N3)cc1C
InChIInChI=1S/C15H20FN/c1-10-3-4-12(7-11(10)2)15(16)8-13-5-6-14(9-15)17-13/h3-4,7,13-14,17H,5-6,8-9H2,1-2H3
InChIKeyQRGZDNYWHIFKSM-UHFFFAOYSA-N
XLogP3.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-3-fluoro-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(3,4-dimethylphenyl)-3-fluoro-8-azabicyclo[3.2.1]octane (CID 112564717) is 3-(3,4-dimethylphenyl)-3-fluoro-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-3-fluoro-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(3,4-dimethylphenyl)-3-fluoro-8-azabicyclo[3.2.1]octane is Cc1ccc(C2(F)CC3CCC(C2)N3)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)-3-fluoro-8-azabicyclo[3.2.1]octane?
The InChIKey is QRGZDNYWHIFKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN/c1-10-3-4-12(7-11(10)2)15(16)8-13-5-6-14(9-15)17-13/h3-4,7,13-14,17H,5-6,8-9H2,1-2H3.
What are the key properties of 3-(3,4-dimethylphenyl)-3-fluoro-8-azabicyclo[3.2.1]octane?
3-(3,4-dimethylphenyl)-3-fluoro-8-azabicyclo[3.2.1]octane has a molecular weight of 233.33 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-3-fluoro-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 112564717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).