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

C15H16FNOS — CID 107644735

IUPAC1-(3-fluorophenyl)-2-(2-methylsulfanylanilino)ethanol
SMILESCSc1ccccc1NCC(O)c1cccc(F)c1
InChIInChI=1S/C15H16FNOS/c1-19-15-8-3-2-7-13(15)17-10-14(18)11-5-4-6-12(16)9-11/h2-9,14,17-18H,10H2,1H3
InChIKeyMWFRUZWWJNXGRZ-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.69
Rot. Bonds5

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

1-(3-fluorophenyl)-2-(2-methylsulfanylanilino)ethanol (PubChem CID 107644735) has the molecular formula C15H16FNOS and a molecular weight of 277.36 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-(2-methylsulfanylanilino)ethanol.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-(2-methylsulfanylanilino)ethanol
PubChem CID107644735
Molecular FormulaC15H16FNOS
Molecular Weight277.36 g/mol
Exact Mass277.09
IUPAC Name1-(3-fluorophenyl)-2-(2-methylsulfanylanilino)ethanol
SMILESCSc1ccccc1NCC(O)c1cccc(F)c1
InChIInChI=1S/C15H16FNOS/c1-19-15-8-3-2-7-13(15)17-10-14(18)11-5-4-6-12(16)9-11/h2-9,14,17-18H,10H2,1H3
InChIKeyMWFRUZWWJNXGRZ-UHFFFAOYSA-N
XLogP3.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromoanilino)-1-(3-fluorophenyl)ethanol
CID 60897612
1-(3-fluorophenyl)-2-(2-iodoanilino)ethanol
CID 60900233
1-(2,4-difluorophenyl)-2-(2-methylsulfanylanilino)ethanol
CID 107644662
2-(3-chloro-2-fluoroanilino)-1-(3-fluorophenyl)ethanol
CID 60900596
2-(2-bromo-4-fluoroanilino)-1-(3-fluorophenyl)ethanol
CID 60901542
2-(2-bromo-5-fluoroanilino)-1-(3-fluorophenyl)ethanol
CID 107635978
2-(2-fluoro-4-methylanilino)-1-(3-fluorophenyl)ethanol
CID 60900960
1-(4-chlorophenyl)-2-(2-methylsulfanylanilino)ethanol
CID 107644582
2-(3,5-difluoroanilino)-1-(3-fluorophenyl)ethanol
CID 60901279
(1R)-2-(tert-butylamino)-1-(3-fluorophenyl)ethanol
CID 67354588
1-(3-fluorophenyl)-2-(4-methylanilino)ethanol
CID 60900339
1-(3-fluorophenyl)-2-(3-methylbutan-2-ylamino)ethanol
CID 60899473

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-(2-methylsulfanylanilino)ethanol?
The IUPAC name of 1-(3-fluorophenyl)-2-(2-methylsulfanylanilino)ethanol (CID 107644735) is 1-(3-fluorophenyl)-2-(2-methylsulfanylanilino)ethanol.
What is the SMILES notation for 1-(3-fluorophenyl)-2-(2-methylsulfanylanilino)ethanol?
The canonical SMILES for 1-(3-fluorophenyl)-2-(2-methylsulfanylanilino)ethanol is CSc1ccccc1NCC(O)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-2-(2-methylsulfanylanilino)ethanol?
The InChIKey is MWFRUZWWJNXGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNOS/c1-19-15-8-3-2-7-13(15)17-10-14(18)11-5-4-6-12(16)9-11/h2-9,14,17-18H,10H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-2-(2-methylsulfanylanilino)ethanol?
1-(3-fluorophenyl)-2-(2-methylsulfanylanilino)ethanol has a molecular weight of 277.36 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-(2-methylsulfanylanilino)ethanol is sourced from PubChem (CID 107644735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).