2-[2-(5-amino-2-methylphenyl)sulfanylethoxy]ethanol

C11H17NO2S — CID 79140895

IUPAC2-[2-(5-amino-2-methylphenyl)sulfanylethoxy]ethanol
SMILESCc1ccc(N)cc1SCCOCCO
InChIInChI=1S/C11H17NO2S/c1-9-2-3-10(12)8-11(9)15-7-6-14-5-4-13/h2-3,8,13H,4-7,12H2,1H3
InChIKeySJYDBYUGWWILFE-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.68
Rot. Bonds6

About 2-[2-(5-amino-2-methylphenyl)sulfanylethoxy]ethanol

2-[2-(5-amino-2-methylphenyl)sulfanylethoxy]ethanol (PubChem CID 79140895) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-[2-(5-amino-2-methylphenyl)sulfanylethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(5-amino-2-methylphenyl)sulfanylethoxy]ethanol
PubChem CID79140895
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name2-[2-(5-amino-2-methylphenyl)sulfanylethoxy]ethanol
SMILESCc1ccc(N)cc1SCCOCCO
InChIInChI=1S/C11H17NO2S/c1-9-2-3-10(12)8-11(9)15-7-6-14-5-4-13/h2-3,8,13H,4-7,12H2,1H3
InChIKeySJYDBYUGWWILFE-UHFFFAOYSA-N
XLogP1.68
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

3-(5-amino-2-methylphenyl)sulfanylpropan-1-ol
CID 66112702
3-(3-methoxypropylsulfanyl)-4-methylaniline
CID 63857550
3-(4-methoxybutylsulfanyl)-4-methylaniline
CID 104647868
2-[2-(2,5-dimethylphenyl)sulfanylethoxy]ethanamine
CID 94684706
4-(2-butoxyethylsulfanyl)-3-methylaniline
CID 61482896
3-(5-amino-2-methylphenyl)sulfanyl-N-methylpropanamide
CID 79140974
3-[2-(2-ethoxyphenoxy)ethylsulfanyl]-4-methylaniline
CID 79129304
3-(ethoxymethylsulfanyl)-4-methylaniline
CID 79140863
3-[2-(2-fluorophenoxy)ethylsulfanyl]-4-methylaniline
CID 79141443
3-[2-(2-chlorophenoxy)ethylsulfanyl]-4-methylaniline
CID 79140785
3-[2-(4-methoxyphenyl)ethylsulfanyl]-4-methylaniline
CID 79140599
3-(2-bromoprop-2-enylsulfanyl)-4-methylaniline
CID 79140779

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-amino-2-methylphenyl)sulfanylethoxy]ethanol?
The IUPAC name of 2-[2-(5-amino-2-methylphenyl)sulfanylethoxy]ethanol (CID 79140895) is 2-[2-(5-amino-2-methylphenyl)sulfanylethoxy]ethanol.
What is the SMILES notation for 2-[2-(5-amino-2-methylphenyl)sulfanylethoxy]ethanol?
The canonical SMILES for 2-[2-(5-amino-2-methylphenyl)sulfanylethoxy]ethanol is Cc1ccc(N)cc1SCCOCCO.
What is the InChIKey of 2-[2-(5-amino-2-methylphenyl)sulfanylethoxy]ethanol?
The InChIKey is SJYDBYUGWWILFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-9-2-3-10(12)8-11(9)15-7-6-14-5-4-13/h2-3,8,13H,4-7,12H2,1H3.
What are the key properties of 2-[2-(5-amino-2-methylphenyl)sulfanylethoxy]ethanol?
2-[2-(5-amino-2-methylphenyl)sulfanylethoxy]ethanol has a molecular weight of 227.33 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-amino-2-methylphenyl)sulfanylethoxy]ethanol is sourced from PubChem (CID 79140895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).