1-(4-ethoxyphenyl)-N-methyl-2-pyrazin-2-ylsulfanylethanamine

C15H19N3OS — CID 64625820

IUPAC1-(4-ethoxyphenyl)-N-methyl-2-pyrazin-2-ylsulfanylethanamine
SMILESCCOc1ccc(C(CSc2cnccn2)NC)cc1
InChIInChI=1S/C15H19N3OS/c1-3-19-13-6-4-12(5-7-13)14(16-2)11-20-15-10-17-8-9-18-15/h4-10,14,16H,3,11H2,1-2H3
InChIKeyXGAZESBBUHAEFI-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.93
Rot. Bonds7

About 1-(4-ethoxyphenyl)-N-methyl-2-pyrazin-2-ylsulfanylethanamine

1-(4-ethoxyphenyl)-N-methyl-2-pyrazin-2-ylsulfanylethanamine (PubChem CID 64625820) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N-methyl-2-pyrazin-2-ylsulfanylethanamine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N-methyl-2-pyrazin-2-ylsulfanylethanamine
PubChem CID64625820
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name1-(4-ethoxyphenyl)-N-methyl-2-pyrazin-2-ylsulfanylethanamine
SMILESCCOc1ccc(C(CSc2cnccn2)NC)cc1
InChIInChI=1S/C15H19N3OS/c1-3-19-13-6-4-12(5-7-13)14(16-2)11-20-15-10-17-8-9-18-15/h4-10,14,16H,3,11H2,1-2H3
InChIKeyXGAZESBBUHAEFI-UHFFFAOYSA-N
XLogP2.93
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-(4-propan-2-ylphenyl)-2-pyrazin-2-ylsulfanylethanamine
CID 64627425
2-[(5-bromo-2-pyridinyl)sulfanyl]-1-(4-ethoxyphenyl)-N-methylethanamine
CID 64629033
1-(4-ethoxyphenyl)-N-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine
CID 104604579
N-[1-(4-methylphenyl)-2-pyrazin-2-ylsulfanylethyl]propan-1-amine
CID 64626215
1-(4-ethoxyphenyl)-N-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
CID 115384119
N-ethyl-1-(2-methoxyphenyl)-2-pyrazin-2-ylsulfanylethanamine
CID 64628025
3-[2-(4-ethoxyphenyl)-2-(methylamino)ethyl]sulfanylbutan-2-ol
CID 107772633
1-(4-ethoxyphenyl)-N-methylpentan-1-amine
CID 43481859
3-[2-(4-ethoxyphenyl)-2-(methylamino)ethyl]sulfanyl-2-methylpropan-1-ol
CID 66103243
1-(3-chloro-4-pyridinyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 105140857
N-[1-(2-methylphenyl)-2-pyrazin-2-ylsulfanylethyl]propan-1-amine
CID 64628229
1-(4-ethoxyphenyl)-N,5-dimethylhexan-1-amine
CID 105028805

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-N-methyl-2-pyrazin-2-ylsulfanylethanamine?
The IUPAC name of 1-(4-ethoxyphenyl)-N-methyl-2-pyrazin-2-ylsulfanylethanamine (CID 64625820) is 1-(4-ethoxyphenyl)-N-methyl-2-pyrazin-2-ylsulfanylethanamine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N-methyl-2-pyrazin-2-ylsulfanylethanamine?
The canonical SMILES for 1-(4-ethoxyphenyl)-N-methyl-2-pyrazin-2-ylsulfanylethanamine is CCOc1ccc(C(CSc2cnccn2)NC)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-N-methyl-2-pyrazin-2-ylsulfanylethanamine?
The InChIKey is XGAZESBBUHAEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-3-19-13-6-4-12(5-7-13)14(16-2)11-20-15-10-17-8-9-18-15/h4-10,14,16H,3,11H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenyl)-N-methyl-2-pyrazin-2-ylsulfanylethanamine?
1-(4-ethoxyphenyl)-N-methyl-2-pyrazin-2-ylsulfanylethanamine has a molecular weight of 289.40 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-N-methyl-2-pyrazin-2-ylsulfanylethanamine is sourced from PubChem (CID 64625820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).