2-(2-methoxyphenoxy)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine

C15H19N3O2 — CID 63172671

IUPAC2-(2-methoxyphenoxy)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine
SMILESCOc1ccccc1OCCNCc1cnc(C)cn1
InChIInChI=1S/C15H19N3O2/c1-12-9-18-13(11-17-12)10-16-7-8-20-15-6-4-3-5-14(15)19-2/h3-6,9,11,16H,7-8,10H2,1-2H3
InChIKeyMGLKQSRRKAIKLH-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.96
Rot. Bonds7

About 2-(2-methoxyphenoxy)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine

2-(2-methoxyphenoxy)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine (PubChem CID 63172671) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine
PubChem CID63172671
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-(2-methoxyphenoxy)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine
SMILESCOc1ccccc1OCCNCc1cnc(C)cn1
InChIInChI=1S/C15H19N3O2/c1-12-9-18-13(11-17-12)10-16-7-8-20-15-6-4-3-5-14(15)19-2/h3-6,9,11,16H,7-8,10H2,1-2H3
InChIKeyMGLKQSRRKAIKLH-UHFFFAOYSA-N
XLogP1.96
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(chloromethyl)phenyl]methyl]-2-(2-methoxyphenoxy)ethanamine
CID 107232956
1-(4-ethoxy-3-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 62847891
2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]ethanamine
CID 80695023
N-[(5-methylpyrazin-2-yl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine
CID 62848075
1-(2-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 62846595
N-[(5-methylpyrazin-2-yl)methyl]-3-phenylbutan-1-amine
CID 62848270
N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropan-1-amine;hydrochloride
CID 117067322
2-(2-methoxyphenoxy)-N-methylethanamine;hydrochloride
CID 19749083
2-(2-methoxyphenoxy)-N-[2-[(6-methoxy-2-pyridinyl)oxy]ethyl]ethanamine
CID 70605196
2-[2-[[(5-methylpyrazin-2-yl)methylamino]methyl]phenoxy]acetonitrile
CID 62847895
2-(2-methoxyphenoxy)-N-[(3-phenylphenyl)methyl]ethanamine
CID 57196084
N-[(3-chlorophenyl)methyl]-2-(2-methoxyphenoxy)ethanamine
CID 39398937

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine?
The IUPAC name of 2-(2-methoxyphenoxy)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine (CID 63172671) is 2-(2-methoxyphenoxy)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine is COc1ccccc1OCCNCc1cnc(C)cn1.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine?
The InChIKey is MGLKQSRRKAIKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-12-9-18-13(11-17-12)10-16-7-8-20-15-6-4-3-5-14(15)19-2/h3-6,9,11,16H,7-8,10H2,1-2H3.
What are the key properties of 2-(2-methoxyphenoxy)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine?
2-(2-methoxyphenoxy)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine has a molecular weight of 273.34 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine is sourced from PubChem (CID 63172671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).