5-(2-aminopropan-2-yl)-2-methyl-4-methylsulfanylphenol

C11H17NOS — CID 117302161

IUPAC5-(2-aminopropan-2-yl)-2-methyl-4-methylsulfanylphenol
SMILESCSc1cc(C)c(O)cc1C(C)(C)N
InChIInChI=1S/C11H17NOS/c1-7-5-10(14-4)8(6-9(7)13)11(2,3)12/h5-6,13H,12H2,1-4H3
InChIKeyZYKVORQSUGHSEG-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.62
Rot. Bonds2

About 5-(2-aminopropan-2-yl)-2-methyl-4-methylsulfanylphenol

5-(2-aminopropan-2-yl)-2-methyl-4-methylsulfanylphenol (PubChem CID 117302161) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 5-(2-aminopropan-2-yl)-2-methyl-4-methylsulfanylphenol.

Molecular Properties

Compound Name5-(2-aminopropan-2-yl)-2-methyl-4-methylsulfanylphenol
PubChem CID117302161
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name5-(2-aminopropan-2-yl)-2-methyl-4-methylsulfanylphenol
SMILESCSc1cc(C)c(O)cc1C(C)(C)N
InChIInChI=1S/C11H17NOS/c1-7-5-10(14-4)8(6-9(7)13)11(2,3)12/h5-6,13H,12H2,1-4H3
InChIKeyZYKVORQSUGHSEG-UHFFFAOYSA-N
XLogP2.62
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(hydroxymethyl)-2-methyl-4-methylsulfanylphenol
CID 117279916
2-tert-butyl-5-methylsulfanylbenzene-1,4-diol
CID 71342649
5-(3-aminopropyl)-2-methyl-4-methylsulfanylphenol
CID 117302130
4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-2,5-dimethylphenol
CID 59518347
5-(1-aminocyclobutyl)-2-methyl-4-methylsulfanylphenol
CID 117320752
5-(1-aminocyclopentyl)-2-methyl-4-methylsulfanylphenol
CID 117347766
2-(2-aminopropan-2-yl)-4-chloro-5-methylphenol
CID 117288945
5-(2-aminopropan-2-yl)-2-fluoro-3,6-dimethylphenol
CID 84774489
ethyl 2-hydroxy-2-(5-hydroxy-4-methyl-2-methylsulfanylphenyl)acetate
CID 117394397
2-(4-fluoro-2-methylphenyl)propan-2-amine
CID 62790601
4-(2-aminopropan-2-yl)-2,3,6-trimethylphenol
CID 117111890
6-(2-aminopropan-2-yl)-2-fluoro-3-methylphenol
CID 117279619

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropan-2-yl)-2-methyl-4-methylsulfanylphenol?
The IUPAC name of 5-(2-aminopropan-2-yl)-2-methyl-4-methylsulfanylphenol (CID 117302161) is 5-(2-aminopropan-2-yl)-2-methyl-4-methylsulfanylphenol.
What is the SMILES notation for 5-(2-aminopropan-2-yl)-2-methyl-4-methylsulfanylphenol?
The canonical SMILES for 5-(2-aminopropan-2-yl)-2-methyl-4-methylsulfanylphenol is CSc1cc(C)c(O)cc1C(C)(C)N.
What is the InChIKey of 5-(2-aminopropan-2-yl)-2-methyl-4-methylsulfanylphenol?
The InChIKey is ZYKVORQSUGHSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-7-5-10(14-4)8(6-9(7)13)11(2,3)12/h5-6,13H,12H2,1-4H3.
What are the key properties of 5-(2-aminopropan-2-yl)-2-methyl-4-methylsulfanylphenol?
5-(2-aminopropan-2-yl)-2-methyl-4-methylsulfanylphenol has a molecular weight of 211.33 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropan-2-yl)-2-methyl-4-methylsulfanylphenol is sourced from PubChem (CID 117302161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).