N-[[5-(2,4-dibromophenoxy)pyrazin-2-yl]methyl]cyclopropanamine

C14H13Br2N3O — CID 107382210

IUPACN-[[5-(2,4-dibromophenoxy)pyrazin-2-yl]methyl]cyclopropanamine
SMILESBrc1ccc(Oc2cnc(CNC3CC3)cn2)c(Br)c1
InChIInChI=1S/C14H13Br2N3O/c15-9-1-4-13(12(16)5-9)20-14-8-18-11(7-19-14)6-17-10-2-3-10/h1,4-5,7-8,10,17H,2-3,6H2
InChIKeyMJPKKTOTBQNJOJ-UHFFFAOYSA-N
MW399.09 g/mol
LogP4.05
Rot. Bonds5

About N-[[5-(2,4-dibromophenoxy)pyrazin-2-yl]methyl]cyclopropanamine

N-[[5-(2,4-dibromophenoxy)pyrazin-2-yl]methyl]cyclopropanamine (PubChem CID 107382210) has the molecular formula C14H13Br2N3O and a molecular weight of 399.09 g/mol. Its IUPAC name is N-[[5-(2,4-dibromophenoxy)pyrazin-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(2,4-dibromophenoxy)pyrazin-2-yl]methyl]cyclopropanamine
PubChem CID107382210
Molecular FormulaC14H13Br2N3O
Molecular Weight399.09 g/mol
Exact Mass396.94
IUPAC NameN-[[5-(2,4-dibromophenoxy)pyrazin-2-yl]methyl]cyclopropanamine
SMILESBrc1ccc(Oc2cnc(CNC3CC3)cn2)c(Br)c1
InChIInChI=1S/C14H13Br2N3O/c15-9-1-4-13(12(16)5-9)20-14-8-18-11(7-19-14)6-17-10-2-3-10/h1,4-5,7-8,10,17H,2-3,6H2
InChIKeyMJPKKTOTBQNJOJ-UHFFFAOYSA-N
XLogP4.05
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.09
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(2,4-dibromophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
CID 107382214
N-[[6-[(2,4-dibromophenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106908411
N-[[5-(3,5-dimethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 107381795
N-[[5-(3,5-dichlorophenoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 107382024
N-[[5-(3,4-difluorophenoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 107382017
1-[5-(2-bromo-4-fluorophenoxy)pyrazin-2-yl]-N-methylmethanamine
CID 107381689
N-[[3-bromo-4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]cyclopropanamine
CID 104796276
N-[[6-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 107285151
N-[(5-phenylmethoxypyrazin-2-yl)methyl]cyclopropanamine
CID 107381343
N-[[2-(5-bromo-2-methylphenoxy)-5-chloro-4-pyridinyl]methyl]cyclopropanamine
CID 107285698
N-[[5-(2-phenoxyethoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 107381473
1-(cyclopropylamino)-3-(2,4-dibromophenoxy)propan-2-ol
CID 64719747

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,4-dibromophenoxy)pyrazin-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(2,4-dibromophenoxy)pyrazin-2-yl]methyl]cyclopropanamine (CID 107382210) is N-[[5-(2,4-dibromophenoxy)pyrazin-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(2,4-dibromophenoxy)pyrazin-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(2,4-dibromophenoxy)pyrazin-2-yl]methyl]cyclopropanamine is Brc1ccc(Oc2cnc(CNC3CC3)cn2)c(Br)c1.
What is the InChIKey of N-[[5-(2,4-dibromophenoxy)pyrazin-2-yl]methyl]cyclopropanamine?
The InChIKey is MJPKKTOTBQNJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2N3O/c15-9-1-4-13(12(16)5-9)20-14-8-18-11(7-19-14)6-17-10-2-3-10/h1,4-5,7-8,10,17H,2-3,6H2.
What are the key properties of N-[[5-(2,4-dibromophenoxy)pyrazin-2-yl]methyl]cyclopropanamine?
N-[[5-(2,4-dibromophenoxy)pyrazin-2-yl]methyl]cyclopropanamine has a molecular weight of 399.09 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,4-dibromophenoxy)pyrazin-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 107382210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).