2-(2,6-difluorophenyl)-1-(5-methyloxolan-3-yl)ethanamine

C13H17F2NO — CID 114825914

IUPAC2-(2,6-difluorophenyl)-1-(5-methyloxolan-3-yl)ethanamine
SMILESCC1CC(C(N)Cc2c(F)cccc2F)CO1
InChIInChI=1S/C13H17F2NO/c1-8-5-9(7-17-8)13(16)6-10-11(14)3-2-4-12(10)15/h2-4,8-9,13H,5-7,16H2,1H3
InChIKeyYTNVAUVGFHZTHQ-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.26
Rot. Bonds3

About 2-(2,6-difluorophenyl)-1-(5-methyloxolan-3-yl)ethanamine

2-(2,6-difluorophenyl)-1-(5-methyloxolan-3-yl)ethanamine (PubChem CID 114825914) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-1-(5-methyloxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-1-(5-methyloxolan-3-yl)ethanamine
PubChem CID114825914
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name2-(2,6-difluorophenyl)-1-(5-methyloxolan-3-yl)ethanamine
SMILESCC1CC(C(N)Cc2c(F)cccc2F)CO1
InChIInChI=1S/C13H17F2NO/c1-8-5-9(7-17-8)13(16)6-10-11(14)3-2-4-12(10)15/h2-4,8-9,13H,5-7,16H2,1H3
InChIKeyYTNVAUVGFHZTHQ-UHFFFAOYSA-N
XLogP2.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-3-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanamine
CID 105020731
2-(3-bromo-4-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanamine
CID 115819109
2-(2,6-difluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine
CID 114932592
1-(5-methyloxolan-3-yl)-3-phenylpropan-1-amine
CID 115794492
2-(3,4-dichlorophenyl)-1-(5-methyloxolan-3-yl)ethanamine
CID 114825906
2-(5-bromo-2-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanol
CID 115784886
2-(2,6-difluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanamine
CID 114932131
1-(2-adamantyl)-2-(2,6-difluorophenyl)ethanamine
CID 81099599
2-(2-chloro-6-fluorophenyl)-1-cyclopropylethanamine
CID 61078474
2-(1-ethylindazol-3-yl)-1-(5-methyloxolan-3-yl)ethanamine
CID 104999436
N-[2-(2-fluorophenyl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine
CID 114825874
(2-fluoro-3-methoxyphenyl)-(5-methyloxolan-3-yl)methanamine
CID 105025195

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-1-(5-methyloxolan-3-yl)ethanamine?
The IUPAC name of 2-(2,6-difluorophenyl)-1-(5-methyloxolan-3-yl)ethanamine (CID 114825914) is 2-(2,6-difluorophenyl)-1-(5-methyloxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(2,6-difluorophenyl)-1-(5-methyloxolan-3-yl)ethanamine?
The canonical SMILES for 2-(2,6-difluorophenyl)-1-(5-methyloxolan-3-yl)ethanamine is CC1CC(C(N)Cc2c(F)cccc2F)CO1.
What is the InChIKey of 2-(2,6-difluorophenyl)-1-(5-methyloxolan-3-yl)ethanamine?
The InChIKey is YTNVAUVGFHZTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-8-5-9(7-17-8)13(16)6-10-11(14)3-2-4-12(10)15/h2-4,8-9,13H,5-7,16H2,1H3.
What are the key properties of 2-(2,6-difluorophenyl)-1-(5-methyloxolan-3-yl)ethanamine?
2-(2,6-difluorophenyl)-1-(5-methyloxolan-3-yl)ethanamine has a molecular weight of 241.28 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-1-(5-methyloxolan-3-yl)ethanamine is sourced from PubChem (CID 114825914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).