1-(2-chlorophenyl)-2-(3-methylsulfanylanilino)ethanol

C15H16ClNOS — CID 60898393

IUPAC1-(2-chlorophenyl)-2-(3-methylsulfanylanilino)ethanol
SMILESCSc1cccc(NCC(O)c2ccccc2Cl)c1
InChIInChI=1S/C15H16ClNOS/c1-19-12-6-4-5-11(9-12)17-10-15(18)13-7-2-3-8-14(13)16/h2-9,15,17-18H,10H2,1H3
InChIKeyRWWPWTRJHROLJP-UHFFFAOYSA-N
MW293.82 g/mol
LogP4.21
Rot. Bonds5

About 1-(2-chlorophenyl)-2-(3-methylsulfanylanilino)ethanol

1-(2-chlorophenyl)-2-(3-methylsulfanylanilino)ethanol (PubChem CID 60898393) has the molecular formula C15H16ClNOS and a molecular weight of 293.82 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-(3-methylsulfanylanilino)ethanol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-(3-methylsulfanylanilino)ethanol
PubChem CID60898393
Molecular FormulaC15H16ClNOS
Molecular Weight293.82 g/mol
Exact Mass293.06
IUPAC Name1-(2-chlorophenyl)-2-(3-methylsulfanylanilino)ethanol
SMILESCSc1cccc(NCC(O)c2ccccc2Cl)c1
InChIInChI=1S/C15H16ClNOS/c1-19-12-6-4-5-11(9-12)17-10-15(18)13-7-2-3-8-14(13)16/h2-9,15,17-18H,10H2,1H3
InChIKeyRWWPWTRJHROLJP-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-(4-methylsulfanylanilino)ethanol
CID 60896350
1-chloro-3-(3-methylsulfanylanilino)propan-2-ol
CID 168600816
3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]benzonitrile
CID 60896465
1-(furan-2-yl)-2-(3-methylsulfanylanilino)ethanol
CID 55025056
3-(3-methylsulfanylanilino)propane-1,2-diol
CID 76891537
2-(3-chloro-5-fluoroanilino)-1-(2-chlorophenyl)ethanol
CID 107365115
1-(2-chlorophenyl)-2-(4-methoxyanilino)ethanol
CID 60900920
1-methoxy-3-(3-methylsulfanylanilino)propan-2-ol
CID 63928358
N-(2-ethylbutyl)-3-methylsulfanylaniline
CID 29289769
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(3-methylsulfanylphenyl)urea
CID 111120381
1-(2-chlorophenyl)-2-(2,3-dichloroanilino)ethanol
CID 60900575
2-(2-chloro-5-fluoroanilino)-1-(2-chlorophenyl)ethanol
CID 107528287

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-(3-methylsulfanylanilino)ethanol?
The IUPAC name of 1-(2-chlorophenyl)-2-(3-methylsulfanylanilino)ethanol (CID 60898393) is 1-(2-chlorophenyl)-2-(3-methylsulfanylanilino)ethanol.
What is the SMILES notation for 1-(2-chlorophenyl)-2-(3-methylsulfanylanilino)ethanol?
The canonical SMILES for 1-(2-chlorophenyl)-2-(3-methylsulfanylanilino)ethanol is CSc1cccc(NCC(O)c2ccccc2Cl)c1.
What is the InChIKey of 1-(2-chlorophenyl)-2-(3-methylsulfanylanilino)ethanol?
The InChIKey is RWWPWTRJHROLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNOS/c1-19-12-6-4-5-11(9-12)17-10-15(18)13-7-2-3-8-14(13)16/h2-9,15,17-18H,10H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-2-(3-methylsulfanylanilino)ethanol?
1-(2-chlorophenyl)-2-(3-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-(3-methylsulfanylanilino)ethanol is sourced from PubChem (CID 60898393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).