1-[2-(2,2-difluoroethoxy)-4-pyridinyl]-N-methylethanamine

C10H14F2N2O — CID 82005773

IUPAC1-[2-(2,2-difluoroethoxy)-4-pyridinyl]-N-methylethanamine
SMILESCNC(C)c1ccnc(OCC(F)F)c1
InChIInChI=1S/C10H14F2N2O/c1-7(13-2)8-3-4-14-10(5-8)15-6-9(11)12/h3-5,7,9,13H,6H2,1-2H3
InChIKeyVSWUSYNLVOHZJS-UHFFFAOYSA-N
MW216.23 g/mol
LogP2.01
Rot. Bonds5

About 1-[2-(2,2-difluoroethoxy)-4-pyridinyl]-N-methylethanamine

1-[2-(2,2-difluoroethoxy)-4-pyridinyl]-N-methylethanamine (PubChem CID 82005773) has the molecular formula C10H14F2N2O and a molecular weight of 216.23 g/mol. Its IUPAC name is 1-[2-(2,2-difluoroethoxy)-4-pyridinyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(2,2-difluoroethoxy)-4-pyridinyl]-N-methylethanamine
PubChem CID82005773
Molecular FormulaC10H14F2N2O
Molecular Weight216.23 g/mol
Exact Mass216.11
IUPAC Name1-[2-(2,2-difluoroethoxy)-4-pyridinyl]-N-methylethanamine
SMILESCNC(C)c1ccnc(OCC(F)F)c1
InChIInChI=1S/C10H14F2N2O/c1-7(13-2)8-3-4-14-10(5-8)15-6-9(11)12/h3-5,7,9,13H,6H2,1-2H3
InChIKeyVSWUSYNLVOHZJS-UHFFFAOYSA-N
XLogP2.01
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[4-[1-(methylamino)ethyl]-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 115505644
1-[2-(2-cyclopropylethoxy)-4-pyridinyl]-N-methylethanamine
CID 106202201
1-[2-[3-(2-methoxyethoxy)propoxy]-4-pyridinyl]-N-methylethanamine
CID 103402960
[2-(2,2-difluoroethoxy)-4-pyridinyl]methanol
CID 82007049
N-ethyl-1-[2-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]ethanamine
CID 106447924
N-[1-[2-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]ethyl]propan-1-amine
CID 106447868
1-[2-(2,2-difluoroethoxy)-4-fluorophenyl]-N-methylethanamine
CID 63065355
[(1S)-1-[3-[2-(2,2-difluoroethoxy)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamic acid
CID 155272169
2-(2,2-difluoroethoxy)-N'-hydroxypyridine-4-carboximidamide
CID 155271721
1-[2-(azetidin-1-yl)-4-pyridinyl]-N-methylethanamine
CID 130547348
1-[2-(difluoromethoxy)-4-pyridinyl]ethanamine
CID 162524387
2-(2,2-difluoroethoxy)-5-methyl-4-propan-2-ylpyridine
CID 165043952

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2-difluoroethoxy)-4-pyridinyl]-N-methylethanamine?
The IUPAC name of 1-[2-(2,2-difluoroethoxy)-4-pyridinyl]-N-methylethanamine (CID 82005773) is 1-[2-(2,2-difluoroethoxy)-4-pyridinyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(2,2-difluoroethoxy)-4-pyridinyl]-N-methylethanamine?
The canonical SMILES for 1-[2-(2,2-difluoroethoxy)-4-pyridinyl]-N-methylethanamine is CNC(C)c1ccnc(OCC(F)F)c1.
What is the InChIKey of 1-[2-(2,2-difluoroethoxy)-4-pyridinyl]-N-methylethanamine?
The InChIKey is VSWUSYNLVOHZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O/c1-7(13-2)8-3-4-14-10(5-8)15-6-9(11)12/h3-5,7,9,13H,6H2,1-2H3.
What are the key properties of 1-[2-(2,2-difluoroethoxy)-4-pyridinyl]-N-methylethanamine?
1-[2-(2,2-difluoroethoxy)-4-pyridinyl]-N-methylethanamine has a molecular weight of 216.23 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-difluoroethoxy)-4-pyridinyl]-N-methylethanamine is sourced from PubChem (CID 82005773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).