N-[[6-(2,4-difluorophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine

C15H17F2N3O — CID 66451593

IUPACN-[[6-(2,4-difluorophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cncc(Oc2ccc(F)cc2F)n1
InChIInChI=1S/C15H17F2N3O/c1-10(2)6-18-7-12-8-19-9-15(20-12)21-14-4-3-11(16)5-13(14)17/h3-5,8-10,18H,6-7H2,1-2H3
InChIKeyZZCBAULRYXCXJM-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.29
Rot. Bonds6

About N-[[6-(2,4-difluorophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine

N-[[6-(2,4-difluorophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 66451593) has the molecular formula C15H17F2N3O and a molecular weight of 293.32 g/mol. Its IUPAC name is N-[[6-(2,4-difluorophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[6-(2,4-difluorophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID66451593
Molecular FormulaC15H17F2N3O
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC NameN-[[6-(2,4-difluorophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cncc(Oc2ccc(F)cc2F)n1
InChIInChI=1S/C15H17F2N3O/c1-10(2)6-18-7-12-8-19-9-15(20-12)21-14-4-3-11(16)5-13(14)17/h3-5,8-10,18H,6-7H2,1-2H3
InChIKeyZZCBAULRYXCXJM-UHFFFAOYSA-N
XLogP3.29
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[6-(2-methylsulfanylphenoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 66465227
N-[[6-(2-bromophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 66450804
N-[[6-(4-bromo-2-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 66467044
N-[[6-(4-bromo-2-chlorophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 66451225
N-[[6-(4-chlorophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 66450622
2-methyl-N-[(6-propan-2-yloxypyrazin-2-yl)methyl]propan-1-amine
CID 66451958
N-[[2-(2,4-difluorophenoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63552912
N-[[6-(2,3-difluorophenoxy)pyrazin-2-yl]methyl]ethanamine
CID 66466578
N-[[6-(2-fluorophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
CID 66451987
N-[[6-(2,5-difluorophenoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 66467503
N-[[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
CID 62450542
N-[2-(2,4-difluorophenoxy)propyl]-2-methylpropan-1-amine
CID 62450002

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,4-difluorophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[6-(2,4-difluorophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine (CID 66451593) is N-[[6-(2,4-difluorophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[6-(2,4-difluorophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[6-(2,4-difluorophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1cncc(Oc2ccc(F)cc2F)n1.
What is the InChIKey of N-[[6-(2,4-difluorophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is ZZCBAULRYXCXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O/c1-10(2)6-18-7-12-8-19-9-15(20-12)21-14-4-3-11(16)5-13(14)17/h3-5,8-10,18H,6-7H2,1-2H3.
What are the key properties of N-[[6-(2,4-difluorophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine?
N-[[6-(2,4-difluorophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 293.32 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2,4-difluorophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 66451593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).