2-methoxy-5-[2-(pyrazin-2-ylmethylamino)ethoxy]aniline

C14H18N4O2 — CID 146622840

IUPAC2-methoxy-5-[2-(pyrazin-2-ylmethylamino)ethoxy]aniline
SMILESCOc1ccc(OCCNCc2cnccn2)cc1N
InChIInChI=1S/C14H18N4O2/c1-19-14-3-2-12(8-13(14)15)20-7-6-17-10-11-9-16-4-5-18-11/h2-5,8-9,17H,6-7,10,15H2,1H3
InChIKeySAOZAHQWTLPREK-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.24
Rot. Bonds7

About 2-methoxy-5-[2-(pyrazin-2-ylmethylamino)ethoxy]aniline

2-methoxy-5-[2-(pyrazin-2-ylmethylamino)ethoxy]aniline (PubChem CID 146622840) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-methoxy-5-[2-(pyrazin-2-ylmethylamino)ethoxy]aniline.

Molecular Properties

Compound Name2-methoxy-5-[2-(pyrazin-2-ylmethylamino)ethoxy]aniline
PubChem CID146622840
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-methoxy-5-[2-(pyrazin-2-ylmethylamino)ethoxy]aniline
SMILESCOc1ccc(OCCNCc2cnccn2)cc1N
InChIInChI=1S/C14H18N4O2/c1-19-14-3-2-12(8-13(14)15)20-7-6-17-10-11-9-16-4-5-18-11/h2-5,8-9,17H,6-7,10,15H2,1H3
InChIKeySAOZAHQWTLPREK-UHFFFAOYSA-N
XLogP1.24
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxyphenyl)-N-(pyrazin-2-ylmethyl)methanamine
CID 62761074
2-methoxy-5-(pyridin-2-ylmethoxy)aniline
CID 103201474
2-methoxy-5-octoxyaniline
CID 103201140
2-(2-bromo-4-methoxyphenoxy)-N-(pyridin-2-ylmethyl)ethanamine
CID 104708550
4-(2-methoxyethoxy)-N-(pyrazin-2-ylmethyl)aniline
CID 55109980
2,5-diazabicyclo[2.2.0]hexa-1(6),2,4-triene;2,5-dimethoxyaniline
CID 70450915
N-(2-methoxyethyl)-2-pyrazin-2-ylethanamine
CID 63969445
5-methoxy-2-(pyridin-2-ylmethoxy)aniline
CID 16775223
2-cyclopentyloxy-N-(pyrazin-2-ylmethyl)ethanamine
CID 63825157
2-chloro-5-methoxy-N-(pyrazin-2-ylmethyl)aniline
CID 62762564
2-methoxy-N-[(5-methoxy-2-pyridinyl)methyl]ethanamine
CID 79794826
5-[(dimethylamino)methyl]-2-methoxy-N-(pyrazin-2-ylmethyl)aniline
CID 62761096

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[2-(pyrazin-2-ylmethylamino)ethoxy]aniline?
The IUPAC name of 2-methoxy-5-[2-(pyrazin-2-ylmethylamino)ethoxy]aniline (CID 146622840) is 2-methoxy-5-[2-(pyrazin-2-ylmethylamino)ethoxy]aniline.
What is the SMILES notation for 2-methoxy-5-[2-(pyrazin-2-ylmethylamino)ethoxy]aniline?
The canonical SMILES for 2-methoxy-5-[2-(pyrazin-2-ylmethylamino)ethoxy]aniline is COc1ccc(OCCNCc2cnccn2)cc1N.
What is the InChIKey of 2-methoxy-5-[2-(pyrazin-2-ylmethylamino)ethoxy]aniline?
The InChIKey is SAOZAHQWTLPREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-19-14-3-2-12(8-13(14)15)20-7-6-17-10-11-9-16-4-5-18-11/h2-5,8-9,17H,6-7,10,15H2,1H3.
What are the key properties of 2-methoxy-5-[2-(pyrazin-2-ylmethylamino)ethoxy]aniline?
2-methoxy-5-[2-(pyrazin-2-ylmethylamino)ethoxy]aniline has a molecular weight of 274.32 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[2-(pyrazin-2-ylmethylamino)ethoxy]aniline is sourced from PubChem (CID 146622840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).