2-(3-amino-4-methylphenyl)sulfanyl-2-methylpropan-1-ol

C11H17NOS — CID 130731567

IUPAC2-(3-amino-4-methylphenyl)sulfanyl-2-methylpropan-1-ol
SMILESCc1ccc(SC(C)(C)CO)cc1N
InChIInChI=1S/C11H17NOS/c1-8-4-5-9(6-10(8)12)14-11(2,3)7-13/h4-6,13H,7,12H2,1-3H3
InChIKeyFLVGZMBBHYQPRI-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.44
Rot. Bonds3

About 2-(3-amino-4-methylphenyl)sulfanyl-2-methylpropan-1-ol

2-(3-amino-4-methylphenyl)sulfanyl-2-methylpropan-1-ol (PubChem CID 130731567) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-(3-amino-4-methylphenyl)sulfanyl-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(3-amino-4-methylphenyl)sulfanyl-2-methylpropan-1-ol
PubChem CID130731567
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name2-(3-amino-4-methylphenyl)sulfanyl-2-methylpropan-1-ol
SMILESCc1ccc(SC(C)(C)CO)cc1N
InChIInChI=1S/C11H17NOS/c1-8-4-5-9(6-10(8)12)14-11(2,3)7-13/h4-6,13H,7,12H2,1-3H3
InChIKeyFLVGZMBBHYQPRI-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-Methylphenyl)sulfanylaniline
CID 60876153
2-Methyl-5-((trifluoromethyl)thio)aniline
CID 40427146
5-(Methylthio)-2-(trifluoromethyl)benzenamine
CID 91881222
2-Methyl-5-(2,2,2-trifluoroethylsulfanyl)aniline
CID 118387721
5-(2-Fluorophenyl)sulfanyl-2-methylaniline
CID 62910778
5-(4-Fluorophenyl)sulfanyl-2-methylaniline
CID 62912867
3-[4-Amino-3-(trifluoromethyl)phenyl]sulfanyl-2-methylpropan-1-ol
CID 66102623
3-[(2-Amino-5-fluorophenyl)methylsulfanyl]butan-1-ol
CID 66103477
3-[(2-Amino-4-fluorophenyl)methylsulfanyl]-2-methylpropan-1-ol
CID 66103525
3-[(2-Amino-5-fluorophenyl)methylsulfanyl]-2-methylpropan-1-ol
CID 66103530
3-[(2-Amino-6-fluorophenyl)methylsulfanyl]-2-methylpropan-1-ol
CID 66104869
3-[4-Amino-3-(trifluoromethyl)phenyl]sulfanylbutan-1-ol
CID 66105468

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-methylphenyl)sulfanyl-2-methylpropan-1-ol?
The IUPAC name of 2-(3-amino-4-methylphenyl)sulfanyl-2-methylpropan-1-ol (CID 130731567) is 2-(3-amino-4-methylphenyl)sulfanyl-2-methylpropan-1-ol.
What is the SMILES notation for 2-(3-amino-4-methylphenyl)sulfanyl-2-methylpropan-1-ol?
The canonical SMILES for 2-(3-amino-4-methylphenyl)sulfanyl-2-methylpropan-1-ol is Cc1ccc(SC(C)(C)CO)cc1N.
What is the InChIKey of 2-(3-amino-4-methylphenyl)sulfanyl-2-methylpropan-1-ol?
The InChIKey is FLVGZMBBHYQPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-8-4-5-9(6-10(8)12)14-11(2,3)7-13/h4-6,13H,7,12H2,1-3H3.
What are the key properties of 2-(3-amino-4-methylphenyl)sulfanyl-2-methylpropan-1-ol?
2-(3-amino-4-methylphenyl)sulfanyl-2-methylpropan-1-ol has a molecular weight of 211.33 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-methylphenyl)sulfanyl-2-methylpropan-1-ol is sourced from PubChem (CID 130731567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).