2-amino-2-(4,5-dimethyl-2-methylsulfanylphenyl)ethanol

C11H17NOS — CID 117302199

IUPAC2-amino-2-(4,5-dimethyl-2-methylsulfanylphenyl)ethanol
SMILESCSc1cc(C)c(C)cc1C(N)CO
InChIInChI=1S/C11H17NOS/c1-7-4-9(10(12)6-13)11(14-3)5-8(7)2/h4-5,10,13H,6,12H2,1-3H3
InChIKeyZCPCGZCPAUCRTF-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.02
Rot. Bonds3

About 2-amino-2-(4,5-dimethyl-2-methylsulfanylphenyl)ethanol

2-amino-2-(4,5-dimethyl-2-methylsulfanylphenyl)ethanol (PubChem CID 117302199) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-amino-2-(4,5-dimethyl-2-methylsulfanylphenyl)ethanol.

Molecular Properties

Compound Name2-amino-2-(4,5-dimethyl-2-methylsulfanylphenyl)ethanol
PubChem CID117302199
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name2-amino-2-(4,5-dimethyl-2-methylsulfanylphenyl)ethanol
SMILESCSc1cc(C)c(C)cc1C(N)CO
InChIInChI=1S/C11H17NOS/c1-7-4-9(10(12)6-13)11(14-3)5-8(7)2/h4-5,10,13H,6,12H2,1-3H3
InChIKeyZCPCGZCPAUCRTF-UHFFFAOYSA-N
XLogP2.02
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(2-fluoro-4,5-dimethylphenyl)ethanol
CID 84769051
2-amino-2-(2,4,5-trimethylphenyl)ethanol
CID 17389879
1-(4,5-dimethyl-2-methylsulfanylphenyl)ethanamine
CID 117285815
2-amino-2-(2-methoxy-4,5-dimethylphenyl)ethanol
CID 77129776
(2R)-2-amino-2-(4-amino-2-fluoro-5-methylphenyl)ethanol
CID 66513540
2-amino-2-(3,5-difluoro-2,4-dimethylphenyl)ethanol
CID 84776170
2-amino-2-(2,3,5-trimethylphenyl)ethanol
CID 117278132
2-amino-2-(4,5-dimethyl-2-methylsulfonylphenyl)ethanol
CID 117360588
4-(1-amino-2-hydroxyethyl)-2-fluoro-5-methylphenol
CID 84769631
(2S)-2-amino-2-(2,4-dimethylphenyl)ethanol
CID 42579716
methyl 2-(4,5-dimethyl-2-methylsulfanylphenyl)-2-hydroxyacetate
CID 117353748
2-[(1S)-1-amino-2-hydroxyethyl]-4-fluoro-6-methylphenol;hydrochloride
CID 171205435

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4,5-dimethyl-2-methylsulfanylphenyl)ethanol?
The IUPAC name of 2-amino-2-(4,5-dimethyl-2-methylsulfanylphenyl)ethanol (CID 117302199) is 2-amino-2-(4,5-dimethyl-2-methylsulfanylphenyl)ethanol.
What is the SMILES notation for 2-amino-2-(4,5-dimethyl-2-methylsulfanylphenyl)ethanol?
The canonical SMILES for 2-amino-2-(4,5-dimethyl-2-methylsulfanylphenyl)ethanol is CSc1cc(C)c(C)cc1C(N)CO.
What is the InChIKey of 2-amino-2-(4,5-dimethyl-2-methylsulfanylphenyl)ethanol?
The InChIKey is ZCPCGZCPAUCRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-7-4-9(10(12)6-13)11(14-3)5-8(7)2/h4-5,10,13H,6,12H2,1-3H3.
What are the key properties of 2-amino-2-(4,5-dimethyl-2-methylsulfanylphenyl)ethanol?
2-amino-2-(4,5-dimethyl-2-methylsulfanylphenyl)ethanol has a molecular weight of 211.33 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4,5-dimethyl-2-methylsulfanylphenyl)ethanol is sourced from PubChem (CID 117302199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).