1-[3-(2,2-difluoroethoxy)-1,4-dimethyl-2H-pyridin-6-yl]ethanamine

C11H18F2N2O — CID 130389823

IUPAC1-[3-(2,2-difluoroethoxy)-1,4-dimethyl-2H-pyridin-6-yl]ethanamine
SMILESCC1=C(OCC(F)F)CN(C)C(C(C)N)=C1
InChIInChI=1S/C11H18F2N2O/c1-7-4-9(8(2)14)15(3)5-10(7)16-6-11(12)13/h4,8,11H,5-6,14H2,1-3H3
InChIKeyGGJLXPMMJWYAAY-UHFFFAOYSA-N
MW232.27 g/mol
LogP1.72
Rot. Bonds4

About 1-[3-(2,2-difluoroethoxy)-1,4-dimethyl-2H-pyridin-6-yl]ethanamine

1-[3-(2,2-difluoroethoxy)-1,4-dimethyl-2H-pyridin-6-yl]ethanamine (PubChem CID 130389823) has the molecular formula C11H18F2N2O and a molecular weight of 232.27 g/mol. Its IUPAC name is 1-[3-(2,2-difluoroethoxy)-1,4-dimethyl-2H-pyridin-6-yl]ethanamine.

Molecular Properties

Compound Name1-[3-(2,2-difluoroethoxy)-1,4-dimethyl-2H-pyridin-6-yl]ethanamine
PubChem CID130389823
Molecular FormulaC11H18F2N2O
Molecular Weight232.27 g/mol
Exact Mass232.14
IUPAC Name1-[3-(2,2-difluoroethoxy)-1,4-dimethyl-2H-pyridin-6-yl]ethanamine
SMILESCC1=C(OCC(F)F)CN(C)C(C(C)N)=C1
InChIInChI=1S/C11H18F2N2O/c1-7-4-9(8(2)14)15(3)5-10(7)16-6-11(12)13/h4,8,11H,5-6,14H2,1-3H3
InChIKeyGGJLXPMMJWYAAY-UHFFFAOYSA-N
XLogP1.72
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,2-difluoroethoxy)-1,4-dimethyl-2H-pyridin-6-yl]ethanamine?
The IUPAC name of 1-[3-(2,2-difluoroethoxy)-1,4-dimethyl-2H-pyridin-6-yl]ethanamine (CID 130389823) is 1-[3-(2,2-difluoroethoxy)-1,4-dimethyl-2H-pyridin-6-yl]ethanamine.
What is the SMILES notation for 1-[3-(2,2-difluoroethoxy)-1,4-dimethyl-2H-pyridin-6-yl]ethanamine?
The canonical SMILES for 1-[3-(2,2-difluoroethoxy)-1,4-dimethyl-2H-pyridin-6-yl]ethanamine is CC1=C(OCC(F)F)CN(C)C(C(C)N)=C1.
What is the InChIKey of 1-[3-(2,2-difluoroethoxy)-1,4-dimethyl-2H-pyridin-6-yl]ethanamine?
The InChIKey is GGJLXPMMJWYAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2O/c1-7-4-9(8(2)14)15(3)5-10(7)16-6-11(12)13/h4,8,11H,5-6,14H2,1-3H3.
What are the key properties of 1-[3-(2,2-difluoroethoxy)-1,4-dimethyl-2H-pyridin-6-yl]ethanamine?
1-[3-(2,2-difluoroethoxy)-1,4-dimethyl-2H-pyridin-6-yl]ethanamine has a molecular weight of 232.27 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2-difluoroethoxy)-1,4-dimethyl-2H-pyridin-6-yl]ethanamine is sourced from PubChem (CID 130389823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).