N-[[6-(4-bromo-2-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine

C16H20BrN3O — CID 66467044

IUPACN-[[6-(4-bromo-2-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
SMILESCc1cc(Br)ccc1Oc1cncc(CNCC(C)C)n1
InChIInChI=1S/C16H20BrN3O/c1-11(2)7-18-8-14-9-19-10-16(20-14)21-15-5-4-13(17)6-12(15)3/h4-6,9-11,18H,7-8H2,1-3H3
InChIKeyXQDDFXSXDRAUQT-UHFFFAOYSA-N
MW350.26 g/mol
LogP4.09
Rot. Bonds6

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

N-[[6-(4-bromo-2-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 66467044) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is N-[[6-(4-bromo-2-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[6-(4-bromo-2-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID66467044
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC NameN-[[6-(4-bromo-2-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
SMILESCc1cc(Br)ccc1Oc1cncc(CNCC(C)C)n1
InChIInChI=1S/C16H20BrN3O/c1-11(2)7-18-8-14-9-19-10-16(20-14)21-15-5-4-13(17)6-12(15)3/h4-6,9-11,18H,7-8H2,1-3H3
InChIKeyXQDDFXSXDRAUQT-UHFFFAOYSA-N
XLogP4.09
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-(4-bromo-2-chlorophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 66451225
N-[[6-(4-bromo-2-methylphenoxy)pyrazin-2-yl]methyl]ethanamine
CID 66467274
N-[[6-(2-bromophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 66450804
N-[[6-(2,4-difluorophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 66451593
N-[[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 63216591
N-[[6-[(4-bromophenyl)methoxy]pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 82807751
2-methyl-N-[[6-(2-methylsulfanylphenoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 66465227
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-[[6-(2,4-dimethylphenoxy)pyridazin-3-yl]methyl]-2-methylpropan-1-amine
CID 62297972
N-[[6-(3-bromophenoxy)pyrazin-2-yl]methyl]propan-2-amine
CID 66450240
N-[[6-(2,4-dibromophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 64721563

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-bromo-2-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[6-(4-bromo-2-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine (CID 66467044) is N-[[6-(4-bromo-2-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[6-(4-bromo-2-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[6-(4-bromo-2-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine is Cc1cc(Br)ccc1Oc1cncc(CNCC(C)C)n1.
What is the InChIKey of N-[[6-(4-bromo-2-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is XQDDFXSXDRAUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-11(2)7-18-8-14-9-19-10-16(20-14)21-15-5-4-13(17)6-12(15)3/h4-6,9-11,18H,7-8H2,1-3H3.
What are the key properties of N-[[6-(4-bromo-2-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine?
N-[[6-(4-bromo-2-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 350.26 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-bromo-2-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 66467044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).