2-(4-ethylsulfanyl-2,5-dimethoxyphenyl)ethanamine

C12H19NO2S — CID 12074193

IUPAC2-(4-ethylsulfanyl-2,5-dimethoxyphenyl)ethanamine
SMILESCCSc1cc(OC)c(CCN)cc1OC
InChIInChI=1S/C12H19NO2S/c1-4-16-12-8-10(14-2)9(5-6-13)7-11(12)15-3/h7-8H,4-6,13H2,1-3H3
InChIKeyHCWQGDLBIKOJPM-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.32
Rot. Bonds6

About 2-(4-ethylsulfanyl-2,5-dimethoxyphenyl)ethanamine

2-(4-ethylsulfanyl-2,5-dimethoxyphenyl)ethanamine (PubChem CID 12074193) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-(4-ethylsulfanyl-2,5-dimethoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-ethylsulfanyl-2,5-dimethoxyphenyl)ethanamine
PubChem CID12074193
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name2-(4-ethylsulfanyl-2,5-dimethoxyphenyl)ethanamine
SMILESCCSc1cc(OC)c(CCN)cc1OC
InChIInChI=1S/C12H19NO2S/c1-4-16-12-8-10(14-2)9(5-6-13)7-11(12)15-3/h7-8H,4-6,13H2,1-3H3
InChIKeyHCWQGDLBIKOJPM-UHFFFAOYSA-N
XLogP2.32
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfanyl-2,5-dimethoxyphenyl)ethanamine?
The IUPAC name of 2-(4-ethylsulfanyl-2,5-dimethoxyphenyl)ethanamine (CID 12074193) is 2-(4-ethylsulfanyl-2,5-dimethoxyphenyl)ethanamine.
What is the SMILES notation for 2-(4-ethylsulfanyl-2,5-dimethoxyphenyl)ethanamine?
The canonical SMILES for 2-(4-ethylsulfanyl-2,5-dimethoxyphenyl)ethanamine is CCSc1cc(OC)c(CCN)cc1OC.
What is the InChIKey of 2-(4-ethylsulfanyl-2,5-dimethoxyphenyl)ethanamine?
The InChIKey is HCWQGDLBIKOJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-4-16-12-8-10(14-2)9(5-6-13)7-11(12)15-3/h7-8H,4-6,13H2,1-3H3.
What are the key properties of 2-(4-ethylsulfanyl-2,5-dimethoxyphenyl)ethanamine?
2-(4-ethylsulfanyl-2,5-dimethoxyphenyl)ethanamine has a molecular weight of 241.36 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfanyl-2,5-dimethoxyphenyl)ethanamine is sourced from PubChem (CID 12074193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).