N-[[6-(4-bromo-2-methylphenoxy)pyrazin-2-yl]methyl]ethanamine

C14H16BrN3O — CID 66467274

IUPACN-[[6-(4-bromo-2-methylphenoxy)pyrazin-2-yl]methyl]ethanamine
SMILESCCNCc1cncc(Oc2ccc(Br)cc2C)n1
InChIInChI=1S/C14H16BrN3O/c1-3-16-7-12-8-17-9-14(18-12)19-13-5-4-11(15)6-10(13)2/h4-6,8-9,16H,3,7H2,1-2H3
InChIKeyXVSCKFYSQHXWRA-UHFFFAOYSA-N
MW322.21 g/mol
LogP3.45
Rot. Bonds5

About N-[[6-(4-bromo-2-methylphenoxy)pyrazin-2-yl]methyl]ethanamine

N-[[6-(4-bromo-2-methylphenoxy)pyrazin-2-yl]methyl]ethanamine (PubChem CID 66467274) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is N-[[6-(4-bromo-2-methylphenoxy)pyrazin-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-(4-bromo-2-methylphenoxy)pyrazin-2-yl]methyl]ethanamine
PubChem CID66467274
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC NameN-[[6-(4-bromo-2-methylphenoxy)pyrazin-2-yl]methyl]ethanamine
SMILESCCNCc1cncc(Oc2ccc(Br)cc2C)n1
InChIInChI=1S/C14H16BrN3O/c1-3-16-7-12-8-17-9-14(18-12)19-13-5-4-11(15)6-10(13)2/h4-6,8-9,16H,3,7H2,1-2H3
InChIKeyXVSCKFYSQHXWRA-UHFFFAOYSA-N
XLogP3.45
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-(4-bromo-2-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 66467044
N-[[6-(4-bromo-2-chlorophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 66451225
N-[[6-(2,3-difluorophenoxy)pyrazin-2-yl]methyl]ethanamine
CID 66466578
N-[[4-(4-bromo-2-methylphenoxy)-2-methylphenyl]methyl]ethanamine
CID 63552221
N-[[6-(4-bromo-2-methylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 63217068
4-(4-bromo-2-methylphenoxy)-N-ethyl-6-methylpyrimidin-2-amine
CID 80879089
2-(chloromethyl)-6-(4-chloro-2-methylphenoxy)pyrazine
CID 66466430
N-[[2-(4-bromo-2-methylphenoxy)-6-chlorophenyl]methyl]ethanamine
CID 63552227
2-(4-tert-butyl-2-methylphenoxy)-6-(chloromethyl)pyrazine
CID 66467805
[6-(2-bromo-4-methylphenoxy)pyrazin-2-yl]methanol
CID 66467768
N-[[6-[(2-bromophenyl)methoxy]pyrazin-2-yl]methyl]ethanamine
CID 82832374
N-[[6-(2-bromophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 66450804

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-bromo-2-methylphenoxy)pyrazin-2-yl]methyl]ethanamine?
The IUPAC name of N-[[6-(4-bromo-2-methylphenoxy)pyrazin-2-yl]methyl]ethanamine (CID 66467274) is N-[[6-(4-bromo-2-methylphenoxy)pyrazin-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[6-(4-bromo-2-methylphenoxy)pyrazin-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[6-(4-bromo-2-methylphenoxy)pyrazin-2-yl]methyl]ethanamine is CCNCc1cncc(Oc2ccc(Br)cc2C)n1.
What is the InChIKey of N-[[6-(4-bromo-2-methylphenoxy)pyrazin-2-yl]methyl]ethanamine?
The InChIKey is XVSCKFYSQHXWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-3-16-7-12-8-17-9-14(18-12)19-13-5-4-11(15)6-10(13)2/h4-6,8-9,16H,3,7H2,1-2H3.
What are the key properties of N-[[6-(4-bromo-2-methylphenoxy)pyrazin-2-yl]methyl]ethanamine?
N-[[6-(4-bromo-2-methylphenoxy)pyrazin-2-yl]methyl]ethanamine has a molecular weight of 322.21 g/mol, XLogP of 3.45, 5 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]ethanamine is sourced from PubChem (CID 66467274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).