N-[[3-(2,2-difluoroethoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-2-amine

C13H20F2N2O — CID 79156405

IUPACN-[[3-(2,2-difluoroethoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCc1ccc(OCC(F)F)c(CNC(C)(C)C)n1
InChIInChI=1S/C13H20F2N2O/c1-9-5-6-11(18-8-12(14)15)10(17-9)7-16-13(2,3)4/h5-6,12,16H,7-8H2,1-4H3
InChIKeyONGILDPVLUJONN-UHFFFAOYSA-N
MW258.31 g/mol
LogP2.92
Rot. Bonds5

About N-[[3-(2,2-difluoroethoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-2-amine

N-[[3-(2,2-difluoroethoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 79156405) has the molecular formula C13H20F2N2O and a molecular weight of 258.31 g/mol. Its IUPAC name is N-[[3-(2,2-difluoroethoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-(2,2-difluoroethoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID79156405
Molecular FormulaC13H20F2N2O
Molecular Weight258.31 g/mol
Exact Mass258.15
IUPAC NameN-[[3-(2,2-difluoroethoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCc1ccc(OCC(F)F)c(CNC(C)(C)C)n1
InChIInChI=1S/C13H20F2N2O/c1-9-5-6-11(18-8-12(14)15)10(17-9)7-16-13(2,3)4/h5-6,12,16H,7-8H2,1-4H3
InChIKeyONGILDPVLUJONN-UHFFFAOYSA-N
XLogP2.92
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-[(tert-butylamino)methyl]-6-methyl-3-pyridinyl]oxy]-3-ethoxypropan-2-ol
CID 79158303
N-[[3-(2,2-difluoroethoxy)-6-methyl-2-pyridinyl]methyl]-2-methoxyethanamine
CID 79156818
2-methyl-N-[[6-methyl-3-(4,4,4-trifluorobutoxy)-2-pyridinyl]methyl]propan-2-amine
CID 115513270
3-[[2-[(tert-butylamino)methyl]-6-methyl-3-pyridinyl]oxymethyl]pentan-3-ol
CID 114492150
2-methyl-N-[[6-methyl-3-[(1-methylpyrazol-4-yl)methoxy]-2-pyridinyl]methyl]propan-2-amine
CID 79158953
N-[[2-(2,2-difluoroethoxy)-5-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 63062836
1-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-2-methylpropan-2-ol
CID 79158447
N-[[3-(difluoromethoxy)-6-methyl-2-pyridinyl]methyl]cyclopropanamine
CID 79158454
N-[[3-(3-fluoropropoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 81106538
N-methyl-1-[6-methyl-3-[2-(2-methylpropoxy)ethoxy]-2-pyridinyl]methanamine
CID 106450396
N-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethyl]-2-methylbutan-2-amine
CID 103175670
3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]propane-1,2-diol
CID 82850120

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,2-difluoroethoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-(2,2-difluoroethoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-2-amine (CID 79156405) is N-[[3-(2,2-difluoroethoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-(2,2-difluoroethoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-(2,2-difluoroethoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-2-amine is Cc1ccc(OCC(F)F)c(CNC(C)(C)C)n1.
What is the InChIKey of N-[[3-(2,2-difluoroethoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is ONGILDPVLUJONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2O/c1-9-5-6-11(18-8-12(14)15)10(17-9)7-16-13(2,3)4/h5-6,12,16H,7-8H2,1-4H3.
What are the key properties of N-[[3-(2,2-difluoroethoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[3-(2,2-difluoroethoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 258.31 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,2-difluoroethoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 79156405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).