N-[[6-(2-bromophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine

C15H18BrN3O — CID 66450804

IUPACN-[[6-(2-bromophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cncc(Oc2ccccc2Br)n1
InChIInChI=1S/C15H18BrN3O/c1-11(2)7-17-8-12-9-18-10-15(19-12)20-14-6-4-3-5-13(14)16/h3-6,9-11,17H,7-8H2,1-2H3
InChIKeySHHXKKMRCDVRDZ-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.78
Rot. Bonds6

About N-[[6-(2-bromophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine

N-[[6-(2-bromophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 66450804) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is N-[[6-(2-bromophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[6-(2-bromophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID66450804
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC NameN-[[6-(2-bromophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cncc(Oc2ccccc2Br)n1
InChIInChI=1S/C15H18BrN3O/c1-11(2)7-17-8-12-9-18-10-15(19-12)20-14-6-4-3-5-13(14)16/h3-6,9-11,17H,7-8H2,1-2H3
InChIKeySHHXKKMRCDVRDZ-UHFFFAOYSA-N
XLogP3.78
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.78
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
1-[6-(2-bromophenoxy)pyrazin-2-yl]-N-methylmethanamine
CID 66450805
N-[[6-(4-bromo-2-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 66467044
N-[[6-(2,4-difluorophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 66451593
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
2,6-bis(2-bromophenoxy)pyrazine
CID 177456586
2-methyl-N-[(6-propan-2-yloxypyrazin-2-yl)methyl]propan-1-amine
CID 66451958
N-[[6-[(4-bromophenyl)methoxy]pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 82807751
6-(2-bromophenoxy)-N-methylpyrazin-2-amine
CID 80860426
N-[[6-[(2-bromophenyl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 82807232
N-methyl-1-(6-naphthalen-1-yloxypyrazin-2-yl)methanamine
CID 66450632

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-bromophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[6-(2-bromophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine (CID 66450804) is N-[[6-(2-bromophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[6-(2-bromophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[6-(2-bromophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1cncc(Oc2ccccc2Br)n1.
What is the InChIKey of N-[[6-(2-bromophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is SHHXKKMRCDVRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-11(2)7-17-8-12-9-18-10-15(19-12)20-14-6-4-3-5-13(14)16/h3-6,9-11,17H,7-8H2,1-2H3.
What are the key properties of N-[[6-(2-bromophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine?
N-[[6-(2-bromophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 336.23 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-bromophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 66450804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).