N-[[5-(2,3-dichlorophenoxy)pyrazin-2-yl]methyl]ethanamine

C13H13Cl2N3O — CID 107381649

IUPACN-[[5-(2,3-dichlorophenoxy)pyrazin-2-yl]methyl]ethanamine
SMILESCCNCc1cnc(Oc2cccc(Cl)c2Cl)cn1
InChIInChI=1S/C13H13Cl2N3O/c1-2-16-6-9-7-18-12(8-17-9)19-11-5-3-4-10(14)13(11)15/h3-5,7-8,16H,2,6H2,1H3
InChIKeyCRLXXMOSOMTQPF-UHFFFAOYSA-N
MW298.17 g/mol
LogP3.69
Rot. Bonds5

About N-[[5-(2,3-dichlorophenoxy)pyrazin-2-yl]methyl]ethanamine

N-[[5-(2,3-dichlorophenoxy)pyrazin-2-yl]methyl]ethanamine (PubChem CID 107381649) has the molecular formula C13H13Cl2N3O and a molecular weight of 298.17 g/mol. Its IUPAC name is N-[[5-(2,3-dichlorophenoxy)pyrazin-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(2,3-dichlorophenoxy)pyrazin-2-yl]methyl]ethanamine
PubChem CID107381649
Molecular FormulaC13H13Cl2N3O
Molecular Weight298.17 g/mol
Exact Mass297.04
IUPAC NameN-[[5-(2,3-dichlorophenoxy)pyrazin-2-yl]methyl]ethanamine
SMILESCCNCc1cnc(Oc2cccc(Cl)c2Cl)cn1
InChIInChI=1S/C13H13Cl2N3O/c1-2-16-6-9-7-18-12(8-17-9)19-11-5-3-4-10(14)13(11)15/h3-5,7-8,16H,2,6H2,1H3
InChIKeyCRLXXMOSOMTQPF-UHFFFAOYSA-N
XLogP3.69
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(2-ethylphenoxy)pyrazin-2-yl]methyl]ethanamine
CID 107382000
N-[[5-(2,6-dimethoxyphenoxy)pyrazin-2-yl]methyl]ethanamine
CID 107381670
N-[[6-(2-chlorophenoxy)-2-pyridinyl]methyl]ethanamine
CID 62295900
N-[[6-(2,3-dichlorophenoxy)-5-methyl-3-pyridinyl]methyl]ethanamine
CID 80635568
N-[[5-(4-methoxyphenoxy)pyrazin-2-yl]methyl]ethanamine
CID 107381915
N-[[5-(2-fluoro-5-methylphenoxy)pyrazin-2-yl]methyl]ethanamine
CID 107382235
N-[[5-(2-ethoxyphenoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 107381727
N-[[5-(2,3-difluorophenoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 107382115
N-[[2-(2,3-dichlorophenoxy)-3-fluoro-4-pyridinyl]methyl]ethanamine
CID 105391049
N-[[5-(2,3,6-trimethylphenoxy)pyrazin-2-yl]methyl]ethanamine
CID 107381985
N-[[5-(2-fluorophenoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 107381761
1-[6-(2,3-dichlorophenoxy)-2-pyridinyl]-N-methylmethanamine
CID 62296347

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,3-dichlorophenoxy)pyrazin-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(2,3-dichlorophenoxy)pyrazin-2-yl]methyl]ethanamine (CID 107381649) is N-[[5-(2,3-dichlorophenoxy)pyrazin-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(2,3-dichlorophenoxy)pyrazin-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(2,3-dichlorophenoxy)pyrazin-2-yl]methyl]ethanamine is CCNCc1cnc(Oc2cccc(Cl)c2Cl)cn1.
What is the InChIKey of N-[[5-(2,3-dichlorophenoxy)pyrazin-2-yl]methyl]ethanamine?
The InChIKey is CRLXXMOSOMTQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O/c1-2-16-6-9-7-18-12(8-17-9)19-11-5-3-4-10(14)13(11)15/h3-5,7-8,16H,2,6H2,1H3.
What are the key properties of N-[[5-(2,3-dichlorophenoxy)pyrazin-2-yl]methyl]ethanamine?
N-[[5-(2,3-dichlorophenoxy)pyrazin-2-yl]methyl]ethanamine has a molecular weight of 298.17 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,3-dichlorophenoxy)pyrazin-2-yl]methyl]ethanamine is sourced from PubChem (CID 107381649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).