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

C15H16ClNOS — CID 60896350

IUPAC1-(2-chlorophenyl)-2-(4-methylsulfanylanilino)ethanol
SMILESCSc1ccc(NCC(O)c2ccccc2Cl)cc1
InChIInChI=1S/C15H16ClNOS/c1-19-12-8-6-11(7-9-12)17-10-15(18)13-4-2-3-5-14(13)16/h2-9,15,17-18H,10H2,1H3
InChIKeyDETDXUOXDGYTLW-UHFFFAOYSA-N
MW293.82 g/mol
LogP4.21
Rot. Bonds5

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

1-(2-chlorophenyl)-2-(4-methylsulfanylanilino)ethanol (PubChem CID 60896350) has the molecular formula C15H16ClNOS and a molecular weight of 293.82 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-(4-methylsulfanylanilino)ethanol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-(4-methylsulfanylanilino)ethanol
PubChem CID60896350
Molecular FormulaC15H16ClNOS
Molecular Weight293.82 g/mol
Exact Mass293.06
IUPAC Name1-(2-chlorophenyl)-2-(4-methylsulfanylanilino)ethanol
SMILESCSc1ccc(NCC(O)c2ccccc2Cl)cc1
InChIInChI=1S/C15H16ClNOS/c1-19-12-8-6-11(7-9-12)17-10-15(18)13-4-2-3-5-14(13)16/h2-9,15,17-18H,10H2,1H3
InChIKeyDETDXUOXDGYTLW-UHFFFAOYSA-N
XLogP4.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-2-(3-methylsulfanylanilino)ethanol
CID 60898393
1-(2-chlorophenyl)-2-(4-methoxyanilino)ethanol
CID 60900920
(1S)-1-(2-chlorophenyl)-2-(4-ethylsulfonylanilino)ethanol
CID 100664216
(1S)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol
CID 667686
(1R)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;hydrochloride
CID 45357807
2-(3-chloro-5-fluoroanilino)-1-(2-chlorophenyl)ethanol
CID 107365115
(2S)-1-(4-methylsulfanylanilino)propan-2-ol
CID 93345415
(2-chlorophenyl)-(4-methylsulfanylphenyl)methanol
CID 114980455
2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;ethanol
CID 174971213
3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]benzonitrile
CID 60896465
1-(2-chlorophenyl)-2-(hydroxyamino)ethanol
CID 82111679
1-(2-chlorophenyl)-2-(3-methylpentan-3-ylamino)ethanol
CID 113253717

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-(4-methylsulfanylanilino)ethanol?
The IUPAC name of 1-(2-chlorophenyl)-2-(4-methylsulfanylanilino)ethanol (CID 60896350) is 1-(2-chlorophenyl)-2-(4-methylsulfanylanilino)ethanol.
What is the SMILES notation for 1-(2-chlorophenyl)-2-(4-methylsulfanylanilino)ethanol?
The canonical SMILES for 1-(2-chlorophenyl)-2-(4-methylsulfanylanilino)ethanol is CSc1ccc(NCC(O)c2ccccc2Cl)cc1.
What is the InChIKey of 1-(2-chlorophenyl)-2-(4-methylsulfanylanilino)ethanol?
The InChIKey is DETDXUOXDGYTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNOS/c1-19-12-8-6-11(7-9-12)17-10-15(18)13-4-2-3-5-14(13)16/h2-9,15,17-18H,10H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-2-(4-methylsulfanylanilino)ethanol?
1-(2-chlorophenyl)-2-(4-methylsulfanylanilino)ethanol has a molecular weight of 293.82 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-(4-methylsulfanylanilino)ethanol is sourced from PubChem (CID 60896350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).