2-amino-1-(4-methoxy-2-methylsulfanylphenyl)ethanol

C10H15NO2S — CID 84782931

IUPAC2-amino-1-(4-methoxy-2-methylsulfanylphenyl)ethanol
SMILESCOc1ccc(C(O)CN)c(SC)c1
InChIInChI=1S/C10H15NO2S/c1-13-7-3-4-8(9(12)6-11)10(5-7)14-2/h3-5,9,12H,6,11H2,1-2H3
InChIKeyTYXPGESLQBYTNL-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.41
Rot. Bonds4

About 2-amino-1-(4-methoxy-2-methylsulfanylphenyl)ethanol

2-amino-1-(4-methoxy-2-methylsulfanylphenyl)ethanol (PubChem CID 84782931) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 2-amino-1-(4-methoxy-2-methylsulfanylphenyl)ethanol.

Molecular Properties

Compound Name2-amino-1-(4-methoxy-2-methylsulfanylphenyl)ethanol
PubChem CID84782931
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name2-amino-1-(4-methoxy-2-methylsulfanylphenyl)ethanol
SMILESCOc1ccc(C(O)CN)c(SC)c1
InChIInChI=1S/C10H15NO2S/c1-13-7-3-4-8(9(12)6-11)10(5-7)14-2/h3-5,9,12H,6,11H2,1-2H3
InChIKeyTYXPGESLQBYTNL-UHFFFAOYSA-N
XLogP1.41
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-2-amino-1-(6-methoxynaphthalen-2-yl)ethanol
CID 28743407
2-amino-1-(2,5-dimethoxy-4-methylsulfanylphenyl)ethanol
CID 117360537
2-amino-1-(6-methoxy-1-methylindol-3-yl)ethanol
CID 82278870
2-(3-amino-1-hydroxypropyl)-5-methoxyphenol
CID 82606953
4-amino-1-(2,4-dimethoxyphenyl)butan-1-ol
CID 112507580
1-(2-fluoro-4-methoxyphenyl)-2-propylsulfanylethanol
CID 103395386
1-(2-bromo-4-methoxyphenyl)ethane-1,2-diamine
CID 126973068
(4-methoxy-2-methylsulfanylphenyl)hydrazine
CID 130935664
2-(4-methoxyphenyl)-3-methylsulfanylpropan-1-amine
CID 117245021
1-amino-3-(2-amino-5-methoxyphenyl)sulfanylpropan-2-ol
CID 104643516
N-[(4-methoxy-2-methylsulfanylphenyl)methyl]-N-methylhydroxylamine
CID 84782925
3-amino-2-(3-methoxyphenyl)-1-(2-methylsulfanylphenyl)propan-1-ol
CID 79212579

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-methoxy-2-methylsulfanylphenyl)ethanol?
The IUPAC name of 2-amino-1-(4-methoxy-2-methylsulfanylphenyl)ethanol (CID 84782931) is 2-amino-1-(4-methoxy-2-methylsulfanylphenyl)ethanol.
What is the SMILES notation for 2-amino-1-(4-methoxy-2-methylsulfanylphenyl)ethanol?
The canonical SMILES for 2-amino-1-(4-methoxy-2-methylsulfanylphenyl)ethanol is COc1ccc(C(O)CN)c(SC)c1.
What is the InChIKey of 2-amino-1-(4-methoxy-2-methylsulfanylphenyl)ethanol?
The InChIKey is TYXPGESLQBYTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-13-7-3-4-8(9(12)6-11)10(5-7)14-2/h3-5,9,12H,6,11H2,1-2H3.
What are the key properties of 2-amino-1-(4-methoxy-2-methylsulfanylphenyl)ethanol?
2-amino-1-(4-methoxy-2-methylsulfanylphenyl)ethanol has a molecular weight of 213.30 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-methoxy-2-methylsulfanylphenyl)ethanol is sourced from PubChem (CID 84782931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).