2-[2-amino-2-(4-methoxyphenyl)ethyl]sulfanylethanol

C11H17NO2S — CID 64612734

IUPAC2-[2-amino-2-(4-methoxyphenyl)ethyl]sulfanylethanol
SMILESCOc1ccc(C(N)CSCCO)cc1
InChIInChI=1S/C11H17NO2S/c1-14-10-4-2-9(3-5-10)11(12)8-15-7-6-13/h2-5,11,13H,6-8,12H2,1H3
InChIKeyHSFGBGOCICQING-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.42
Rot. Bonds6

About 2-[2-amino-2-(4-methoxyphenyl)ethyl]sulfanylethanol

2-[2-amino-2-(4-methoxyphenyl)ethyl]sulfanylethanol (PubChem CID 64612734) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-[2-amino-2-(4-methoxyphenyl)ethyl]sulfanylethanol.

Molecular Properties

Compound Name2-[2-amino-2-(4-methoxyphenyl)ethyl]sulfanylethanol
PubChem CID64612734
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name2-[2-amino-2-(4-methoxyphenyl)ethyl]sulfanylethanol
SMILESCOc1ccc(C(N)CSCCO)cc1
InChIInChI=1S/C11H17NO2S/c1-14-10-4-2-9(3-5-10)11(12)8-15-7-6-13/h2-5,11,13H,6-8,12H2,1H3
InChIKeyHSFGBGOCICQING-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenyl)-2-(3-methoxypropylsulfanyl)ethanamine
CID 64627665
2-[2-amino-2-[4-(2-methylpropyl)phenyl]ethyl]sulfanylethanol
CID 64614387
1-(4-methoxyphenyl)-2-[(4-methylphenyl)methylsulfanyl]ethanamine
CID 15908769
2-[2-amino-2-(4-methoxyphenyl)ethyl]sulfanyl-N-ethylacetamide
CID 114234940
2-(2-methoxyethylsulfanyl)-1-(4-propoxyphenyl)ethanamine
CID 64612378
1-(4-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 70626122
2-(2-methoxyethylsulfanyl)-1-(4-methylphenyl)ethanamine
CID 64609924
3-[2-amino-2-(4-ethoxyphenyl)ethyl]sulfanylpropane-1,2-diol
CID 79671253
2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)ethanamine
CID 64619722
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-methoxyphenyl)ethanamine
CID 64632910
2-(2-hydroxyethylsulfanyl)ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 21075929
(2S)-3-amino-2-(4-methoxyphenyl)propan-1-ol
CID 46911827

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-2-(4-methoxyphenyl)ethyl]sulfanylethanol?
The IUPAC name of 2-[2-amino-2-(4-methoxyphenyl)ethyl]sulfanylethanol (CID 64612734) is 2-[2-amino-2-(4-methoxyphenyl)ethyl]sulfanylethanol.
What is the SMILES notation for 2-[2-amino-2-(4-methoxyphenyl)ethyl]sulfanylethanol?
The canonical SMILES for 2-[2-amino-2-(4-methoxyphenyl)ethyl]sulfanylethanol is COc1ccc(C(N)CSCCO)cc1.
What is the InChIKey of 2-[2-amino-2-(4-methoxyphenyl)ethyl]sulfanylethanol?
The InChIKey is HSFGBGOCICQING-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-14-10-4-2-9(3-5-10)11(12)8-15-7-6-13/h2-5,11,13H,6-8,12H2,1H3.
What are the key properties of 2-[2-amino-2-(4-methoxyphenyl)ethyl]sulfanylethanol?
2-[2-amino-2-(4-methoxyphenyl)ethyl]sulfanylethanol has a molecular weight of 227.33 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-2-(4-methoxyphenyl)ethyl]sulfanylethanol is sourced from PubChem (CID 64612734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).