2-(3-methylanilino)-2-(4-methylsulfanylphenyl)ethanol

C16H19NOS — CID 61049384

IUPAC2-(3-methylanilino)-2-(4-methylsulfanylphenyl)ethanol
SMILESCSc1ccc(C(CO)Nc2cccc(C)c2)cc1
InChIInChI=1S/C16H19NOS/c1-12-4-3-5-14(10-12)17-16(11-18)13-6-8-15(19-2)9-7-13/h3-10,16-18H,11H2,1-2H3
InChIKeyZCIHUPJHWQDYGT-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.86
Rot. Bonds5

About 2-(3-methylanilino)-2-(4-methylsulfanylphenyl)ethanol

2-(3-methylanilino)-2-(4-methylsulfanylphenyl)ethanol (PubChem CID 61049384) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is 2-(3-methylanilino)-2-(4-methylsulfanylphenyl)ethanol.

Molecular Properties

Compound Name2-(3-methylanilino)-2-(4-methylsulfanylphenyl)ethanol
PubChem CID61049384
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name2-(3-methylanilino)-2-(4-methylsulfanylphenyl)ethanol
SMILESCSc1ccc(C(CO)Nc2cccc(C)c2)cc1
InChIInChI=1S/C16H19NOS/c1-12-4-3-5-14(10-12)17-16(11-18)13-6-8-15(19-2)9-7-13/h3-10,16-18H,11H2,1-2H3
InChIKeyZCIHUPJHWQDYGT-UHFFFAOYSA-N
XLogP3.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloroanilino)-2-(4-methylsulfanylphenyl)ethanol
CID 61047746
2-(3-methylanilino)-2-(3-methylphenyl)ethanol
CID 61050180
4-[2-hydroxy-1-(3-methylanilino)ethyl]-2,6-dimethylphenol
CID 61050381
2-(3-bromophenyl)-2-(3-methylanilino)ethanol
CID 61048787
2-(3-chloro-4-methylphenyl)-2-(3-methylanilino)ethanol
CID 106818139
2-(3-iodophenyl)-2-(3-methylanilino)ethanol
CID 114283122
2-(4-methoxy-3-methylphenyl)-2-(3-methylanilino)ethanol
CID 62131550
2-(2-fluorophenyl)-2-(3-methylanilino)ethanol
CID 61050184
2-(3-methylanilino)-2-quinolin-6-ylethanol
CID 63970817
2-(3-methylanilino)-4-methylsulfanylbutan-1-ol
CID 61048388
2-(2-ethylphenyl)-2-(3-methylanilino)ethanol
CID 55067115
2-(3-methylanilino)-2-(4-methylsulfanylphenyl)propan-1-ol
CID 61049185

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylanilino)-2-(4-methylsulfanylphenyl)ethanol?
The IUPAC name of 2-(3-methylanilino)-2-(4-methylsulfanylphenyl)ethanol (CID 61049384) is 2-(3-methylanilino)-2-(4-methylsulfanylphenyl)ethanol.
What is the SMILES notation for 2-(3-methylanilino)-2-(4-methylsulfanylphenyl)ethanol?
The canonical SMILES for 2-(3-methylanilino)-2-(4-methylsulfanylphenyl)ethanol is CSc1ccc(C(CO)Nc2cccc(C)c2)cc1.
What is the InChIKey of 2-(3-methylanilino)-2-(4-methylsulfanylphenyl)ethanol?
The InChIKey is ZCIHUPJHWQDYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-12-4-3-5-14(10-12)17-16(11-18)13-6-8-15(19-2)9-7-13/h3-10,16-18H,11H2,1-2H3.
What are the key properties of 2-(3-methylanilino)-2-(4-methylsulfanylphenyl)ethanol?
2-(3-methylanilino)-2-(4-methylsulfanylphenyl)ethanol has a molecular weight of 273.40 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylanilino)-2-(4-methylsulfanylphenyl)ethanol is sourced from PubChem (CID 61049384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).