1-(2,5-dimethoxy-4-methylsulfanylphenyl)-2-(methylamino)ethanol

C12H19NO3S — CID 117397134

IUPAC1-(2,5-dimethoxy-4-methylsulfanylphenyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1cc(OC)c(SC)cc1OC
InChIInChI=1S/C12H19NO3S/c1-13-7-9(14)8-5-11(16-3)12(17-4)6-10(8)15-2/h5-6,9,13-14H,7H2,1-4H3
InChIKeyUHZQUOZJPQEOOL-UHFFFAOYSA-N
MW257.35 g/mol
LogP1.68
Rot. Bonds6

About 1-(2,5-dimethoxy-4-methylsulfanylphenyl)-2-(methylamino)ethanol

1-(2,5-dimethoxy-4-methylsulfanylphenyl)-2-(methylamino)ethanol (PubChem CID 117397134) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is 1-(2,5-dimethoxy-4-methylsulfanylphenyl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-(2,5-dimethoxy-4-methylsulfanylphenyl)-2-(methylamino)ethanol
PubChem CID117397134
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC Name1-(2,5-dimethoxy-4-methylsulfanylphenyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1cc(OC)c(SC)cc1OC
InChIInChI=1S/C12H19NO3S/c1-13-7-9(14)8-5-11(16-3)12(17-4)6-10(8)15-2/h5-6,9,13-14H,7H2,1-4H3
InChIKeyUHZQUOZJPQEOOL-UHFFFAOYSA-N
XLogP1.68
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-dimethoxy-4-propan-2-ylphenyl)-2-(methylamino)ethanol
CID 112514039
2-amino-1-(2,5-dimethoxy-4-methylsulfanylphenyl)ethanol
CID 117360537
1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]-2-(methylamino)ethanol
CID 117359840
1-(5-chloro-2-methoxy-4-propan-2-ylphenyl)-2-(methylamino)ethanol
CID 117398229
1-(4,5-dimethoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanol
CID 117386619
5-[1-hydroxy-2-(methylamino)ethyl]-4-methoxy-2-methylphenol
CID 117301897
1-(4-fluoro-5-methoxy-2-methylphenyl)-2-(methylamino)ethanol
CID 84782753
1,4-dimethoxy-2,5-bis(methylsulfanyl)benzene
CID 2802745
1-(2-methoxyphenyl)-2-(methylamino)ethanol
CID 14888491
2-(2,5-dimethoxy-4-methylsulfanylphenyl)propanoic acid
CID 117394352
1-(4-amino-3,5-dimethoxyphenyl)-2-(methylamino)ethanol
CID 117325570
1-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-2-(methylamino)ethanol
CID 117473718

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxy-4-methylsulfanylphenyl)-2-(methylamino)ethanol?
The IUPAC name of 1-(2,5-dimethoxy-4-methylsulfanylphenyl)-2-(methylamino)ethanol (CID 117397134) is 1-(2,5-dimethoxy-4-methylsulfanylphenyl)-2-(methylamino)ethanol.
What is the SMILES notation for 1-(2,5-dimethoxy-4-methylsulfanylphenyl)-2-(methylamino)ethanol?
The canonical SMILES for 1-(2,5-dimethoxy-4-methylsulfanylphenyl)-2-(methylamino)ethanol is CNCC(O)c1cc(OC)c(SC)cc1OC.
What is the InChIKey of 1-(2,5-dimethoxy-4-methylsulfanylphenyl)-2-(methylamino)ethanol?
The InChIKey is UHZQUOZJPQEOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-13-7-9(14)8-5-11(16-3)12(17-4)6-10(8)15-2/h5-6,9,13-14H,7H2,1-4H3.
What are the key properties of 1-(2,5-dimethoxy-4-methylsulfanylphenyl)-2-(methylamino)ethanol?
1-(2,5-dimethoxy-4-methylsulfanylphenyl)-2-(methylamino)ethanol has a molecular weight of 257.35 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxy-4-methylsulfanylphenyl)-2-(methylamino)ethanol is sourced from PubChem (CID 117397134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).