1-(4-methoxyphenyl)-2-(2-methylsulfanylanilino)ethanol

C16H19NO2S — CID 107644674

IUPAC1-(4-methoxyphenyl)-2-(2-methylsulfanylanilino)ethanol
SMILESCOc1ccc(C(O)CNc2ccccc2SC)cc1
InChIInChI=1S/C16H19NO2S/c1-19-13-9-7-12(8-10-13)15(18)11-17-14-5-3-4-6-16(14)20-2/h3-10,15,17-18H,11H2,1-2H3
InChIKeyXWIGJIAGZVEGHU-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.56
Rot. Bonds6

About 1-(4-methoxyphenyl)-2-(2-methylsulfanylanilino)ethanol

1-(4-methoxyphenyl)-2-(2-methylsulfanylanilino)ethanol (PubChem CID 107644674) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-(2-methylsulfanylanilino)ethanol.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-(2-methylsulfanylanilino)ethanol
PubChem CID107644674
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name1-(4-methoxyphenyl)-2-(2-methylsulfanylanilino)ethanol
SMILESCOc1ccc(C(O)CNc2ccccc2SC)cc1
InChIInChI=1S/C16H19NO2S/c1-19-13-9-7-12(8-10-13)15(18)11-17-14-5-3-4-6-16(14)20-2/h3-10,15,17-18H,11H2,1-2H3
InChIKeyXWIGJIAGZVEGHU-UHFFFAOYSA-N
XLogP3.56
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-methoxyphenyl)-2-(2-methylsulfanylanilino)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chlorophenyl)-2-(2-methylsulfanylanilino)ethanol
CID 107644582
2-(2,6-difluoroanilino)-1-(4-methoxyphenyl)ethanol
CID 60900221
1-(3-fluorophenyl)-2-(2-methylsulfanylanilino)ethanol
CID 107644735
N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylaniline
CID 103731067
(1R)-1-(4-methoxyphenyl)-2-(quinoxalin-2-ylamino)ethanol
CID 51943049
2-hydrazinyl-1-(4-methoxyphenyl)ethanol
CID 21361112
1-(4-methoxyphenyl)-2-(3-methylsulfanylpropylamino)ethanol
CID 60760535
2-(2-chloro-5-methylanilino)-1-(4-methoxyphenyl)ethanol
CID 107634665
2-(4-bromo-2-methylanilino)-1-(4-methoxyphenyl)ethanol
CID 60896340
1-(4-methoxyphenyl)-2-(1-phenylethylamino)ethanol
CID 60766376
(1S)-1-(4-methoxyphenyl)-3-(2-methylanilino)propan-1-ol
CID 94281332
3-fluoro-4-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]benzonitrile
CID 78916072

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-(2-methylsulfanylanilino)ethanol?
The IUPAC name of 1-(4-methoxyphenyl)-2-(2-methylsulfanylanilino)ethanol (CID 107644674) is 1-(4-methoxyphenyl)-2-(2-methylsulfanylanilino)ethanol.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-(2-methylsulfanylanilino)ethanol?
The canonical SMILES for 1-(4-methoxyphenyl)-2-(2-methylsulfanylanilino)ethanol is COc1ccc(C(O)CNc2ccccc2SC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-(2-methylsulfanylanilino)ethanol?
The InChIKey is XWIGJIAGZVEGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-19-13-9-7-12(8-10-13)15(18)11-17-14-5-3-4-6-16(14)20-2/h3-10,15,17-18H,11H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-2-(2-methylsulfanylanilino)ethanol?
1-(4-methoxyphenyl)-2-(2-methylsulfanylanilino)ethanol has a molecular weight of 289.40 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-(2-methylsulfanylanilino)ethanol is sourced from PubChem (CID 107644674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).