1-[6-(2-bromophenoxy)pyrazin-2-yl]-N-methylmethanamine

C12H12BrN3O — CID 66450805

IUPAC1-[6-(2-bromophenoxy)pyrazin-2-yl]-N-methylmethanamine
SMILESCNCc1cncc(Oc2ccccc2Br)n1
InChIInChI=1S/C12H12BrN3O/c1-14-6-9-7-15-8-12(16-9)17-11-5-3-2-4-10(11)13/h2-5,7-8,14H,6H2,1H3
InChIKeyJODOCVVXDVVUCS-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.75
Rot. Bonds4

About 1-[6-(2-bromophenoxy)pyrazin-2-yl]-N-methylmethanamine

1-[6-(2-bromophenoxy)pyrazin-2-yl]-N-methylmethanamine (PubChem CID 66450805) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is 1-[6-(2-bromophenoxy)pyrazin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-(2-bromophenoxy)pyrazin-2-yl]-N-methylmethanamine
PubChem CID66450805
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name1-[6-(2-bromophenoxy)pyrazin-2-yl]-N-methylmethanamine
SMILESCNCc1cncc(Oc2ccccc2Br)n1
InChIInChI=1S/C12H12BrN3O/c1-14-6-9-7-15-8-12(16-9)17-11-5-3-2-4-10(11)13/h2-5,7-8,14H,6H2,1H3
InChIKeyJODOCVVXDVVUCS-UHFFFAOYSA-N
XLogP2.75
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(6-naphthalen-1-yloxypyrazin-2-yl)methanamine
CID 66450632
N-[[6-(2-bromophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 66450804
2,6-bis(2-bromophenoxy)pyrazine
CID 177456586
1-[6-(2,5-dibromo-4-methoxyphenoxy)pyrazin-2-yl]-N-methylmethanamine
CID 79404096
6-(2-bromophenoxy)-N-methylpyrazin-2-amine
CID 80860426
N-methyl-1-(6-naphthalen-2-yloxypyrazin-2-yl)methanamine
CID 66450822
1-[1-(2-bromophenoxy)isoquinolin-3-yl]-N-methylmethanamine
CID 62297220
N-[[6-(2-fluorophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
CID 66451987
N,N-dimethyl-3-[6-(methylaminomethyl)pyrazin-2-yl]oxyaniline
CID 66449849
2-methyl-N-[[6-(2-methylsulfanylphenoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 66465227
N-methyl-1-[6-(3-phenylprop-2-enoxy)pyrazin-2-yl]methanamine
CID 77134322
2-(2-bromophenoxy)pyrazine
CID 14689440

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-bromophenoxy)pyrazin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[6-(2-bromophenoxy)pyrazin-2-yl]-N-methylmethanamine (CID 66450805) is 1-[6-(2-bromophenoxy)pyrazin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-(2-bromophenoxy)pyrazin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[6-(2-bromophenoxy)pyrazin-2-yl]-N-methylmethanamine is CNCc1cncc(Oc2ccccc2Br)n1.
What is the InChIKey of 1-[6-(2-bromophenoxy)pyrazin-2-yl]-N-methylmethanamine?
The InChIKey is JODOCVVXDVVUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c1-14-6-9-7-15-8-12(16-9)17-11-5-3-2-4-10(11)13/h2-5,7-8,14H,6H2,1H3.
What are the key properties of 1-[6-(2-bromophenoxy)pyrazin-2-yl]-N-methylmethanamine?
1-[6-(2-bromophenoxy)pyrazin-2-yl]-N-methylmethanamine has a molecular weight of 294.15 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-bromophenoxy)pyrazin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 66450805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).