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

C12H20ClNO2S — CID 24820239

IUPAC2-(4-ethylsulfanyl-2,5-dimethoxyphenyl)ethanamine;hydrochloride
SMILESCCSc1cc(OC)c(CCN)cc1OC.Cl
InChIInChI=1S/C12H19NO2S.ClH/c1-4-16-12-8-10(14-2)9(5-6-13)7-11(12)15-3;/h7-8H,4-6,13H2,1-3H3;1H
InChIKeySMKRCPGGWNAUJG-UHFFFAOYSA-N
MW277.82 g/mol
LogP2.74
Rot. Bonds6

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

2-(4-ethylsulfanyl-2,5-dimethoxyphenyl)ethanamine;hydrochloride (PubChem CID 24820239) has the molecular formula C12H20ClNO2S and a molecular weight of 277.82 g/mol. Its IUPAC name is 2-(4-ethylsulfanyl-2,5-dimethoxyphenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(4-ethylsulfanyl-2,5-dimethoxyphenyl)ethanamine;hydrochloride
PubChem CID24820239
Molecular FormulaC12H20ClNO2S
Molecular Weight277.82 g/mol
Exact Mass277.09
IUPAC Name2-(4-ethylsulfanyl-2,5-dimethoxyphenyl)ethanamine;hydrochloride
SMILESCCSc1cc(OC)c(CCN)cc1OC.Cl
InChIInChI=1S/C12H19NO2S.ClH/c1-4-16-12-8-10(14-2)9(5-6-13)7-11(12)15-3;/h7-8H,4-6,13H2,1-3H3;1H
InChIKeySMKRCPGGWNAUJG-UHFFFAOYSA-N
XLogP2.74
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.82
LogP ≤ 52.74
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;hydrochloride?
The IUPAC name of 2-(4-ethylsulfanyl-2,5-dimethoxyphenyl)ethanamine;hydrochloride (CID 24820239) is 2-(4-ethylsulfanyl-2,5-dimethoxyphenyl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(4-ethylsulfanyl-2,5-dimethoxyphenyl)ethanamine;hydrochloride?
The canonical SMILES for 2-(4-ethylsulfanyl-2,5-dimethoxyphenyl)ethanamine;hydrochloride is CCSc1cc(OC)c(CCN)cc1OC.Cl.
What is the InChIKey of 2-(4-ethylsulfanyl-2,5-dimethoxyphenyl)ethanamine;hydrochloride?
The InChIKey is SMKRCPGGWNAUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S.ClH/c1-4-16-12-8-10(14-2)9(5-6-13)7-11(12)15-3;/h7-8H,4-6,13H2,1-3H3;1H.
What are the key properties of 2-(4-ethylsulfanyl-2,5-dimethoxyphenyl)ethanamine;hydrochloride?
2-(4-ethylsulfanyl-2,5-dimethoxyphenyl)ethanamine;hydrochloride has a molecular weight of 277.82 g/mol, XLogP of 2.74, 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;hydrochloride is sourced from PubChem (CID 24820239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).