N-[[6-(2,5-difluorophenoxy)pyrazin-2-yl]methyl]cyclopropanamine

C14H13F2N3O — CID 66467503

IUPACN-[[6-(2,5-difluorophenoxy)pyrazin-2-yl]methyl]cyclopropanamine
SMILESFc1ccc(F)c(Oc2cncc(CNC3CC3)n2)c1
InChIInChI=1S/C14H13F2N3O/c15-9-1-4-12(16)13(5-9)20-14-8-17-6-11(19-14)7-18-10-2-3-10/h1,4-6,8,10,18H,2-3,7H2
InChIKeyANCCHULIWHRDEX-UHFFFAOYSA-N
MW277.27 g/mol
LogP2.80
Rot. Bonds5

About N-[[6-(2,5-difluorophenoxy)pyrazin-2-yl]methyl]cyclopropanamine

N-[[6-(2,5-difluorophenoxy)pyrazin-2-yl]methyl]cyclopropanamine (PubChem CID 66467503) has the molecular formula C14H13F2N3O and a molecular weight of 277.27 g/mol. Its IUPAC name is N-[[6-(2,5-difluorophenoxy)pyrazin-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-(2,5-difluorophenoxy)pyrazin-2-yl]methyl]cyclopropanamine
PubChem CID66467503
Molecular FormulaC14H13F2N3O
Molecular Weight277.27 g/mol
Exact Mass277.10
IUPAC NameN-[[6-(2,5-difluorophenoxy)pyrazin-2-yl]methyl]cyclopropanamine
SMILESFc1ccc(F)c(Oc2cncc(CNC3CC3)n2)c1
InChIInChI=1S/C14H13F2N3O/c15-9-1-4-12(16)13(5-9)20-14-8-17-6-11(19-14)7-18-10-2-3-10/h1,4-6,8,10,18H,2-3,7H2
InChIKeyANCCHULIWHRDEX-UHFFFAOYSA-N
XLogP2.80
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-(2,3,5-trimethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 66451411
N-[[6-(4-ethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 66451008
N-[[6-(2,3,6-trimethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 66451614
N-[[2-chloro-6-(2,5-difluorophenoxy)phenyl]methyl]cyclopropanamine
CID 63269312
N-[[6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 66467741
N-[[6-(2,4-difluorophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 66451593
N-[[6-(2-fluorophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
CID 66451987
N-[[3-chloro-6-(2-fluoro-5-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 64854297
N-[[3-chloro-6-(5-fluoro-2-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 102985257
[6-(2-fluoro-5-methylphenoxy)pyrazin-2-yl]methanol
CID 66468669
N-[2-[(2,5-difluorophenoxy)methyl]prop-2-enyl]cyclopropanamine
CID 103067234
N-[[2-(5-bromo-2-fluorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 114674394

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,5-difluorophenoxy)pyrazin-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-(2,5-difluorophenoxy)pyrazin-2-yl]methyl]cyclopropanamine (CID 66467503) is N-[[6-(2,5-difluorophenoxy)pyrazin-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-(2,5-difluorophenoxy)pyrazin-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-(2,5-difluorophenoxy)pyrazin-2-yl]methyl]cyclopropanamine is Fc1ccc(F)c(Oc2cncc(CNC3CC3)n2)c1.
What is the InChIKey of N-[[6-(2,5-difluorophenoxy)pyrazin-2-yl]methyl]cyclopropanamine?
The InChIKey is ANCCHULIWHRDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O/c15-9-1-4-12(16)13(5-9)20-14-8-17-6-11(19-14)7-18-10-2-3-10/h1,4-6,8,10,18H,2-3,7H2.
What are the key properties of N-[[6-(2,5-difluorophenoxy)pyrazin-2-yl]methyl]cyclopropanamine?
N-[[6-(2,5-difluorophenoxy)pyrazin-2-yl]methyl]cyclopropanamine has a molecular weight of 277.27 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2,5-difluorophenoxy)pyrazin-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66467503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).