1-(3-aminophenyl)-2-(2,4-difluorophenyl)sulfanylethanol

C14H13F2NOS — CID 62267773

IUPAC1-(3-aminophenyl)-2-(2,4-difluorophenyl)sulfanylethanol
SMILESNc1cccc(C(O)CSc2ccc(F)cc2F)c1
InChIInChI=1S/C14H13F2NOS/c15-10-4-5-14(12(16)7-10)19-8-13(18)9-2-1-3-11(17)6-9/h1-7,13,18H,8,17H2
InChIKeyUJWZQUDGSSIVLF-UHFFFAOYSA-N
MW281.33 g/mol
LogP3.37
Rot. Bonds4

About 1-(3-aminophenyl)-2-(2,4-difluorophenyl)sulfanylethanol

1-(3-aminophenyl)-2-(2,4-difluorophenyl)sulfanylethanol (PubChem CID 62267773) has the molecular formula C14H13F2NOS and a molecular weight of 281.33 g/mol. Its IUPAC name is 1-(3-aminophenyl)-2-(2,4-difluorophenyl)sulfanylethanol.

Molecular Properties

Compound Name1-(3-aminophenyl)-2-(2,4-difluorophenyl)sulfanylethanol
PubChem CID62267773
Molecular FormulaC14H13F2NOS
Molecular Weight281.33 g/mol
Exact Mass281.07
IUPAC Name1-(3-aminophenyl)-2-(2,4-difluorophenyl)sulfanylethanol
SMILESNc1cccc(C(O)CSc2ccc(F)cc2F)c1
InChIInChI=1S/C14H13F2NOS/c15-10-4-5-14(12(16)7-10)19-8-13(18)9-2-1-3-11(17)6-9/h1-7,13,18H,8,17H2
InChIKeyUJWZQUDGSSIVLF-UHFFFAOYSA-N
XLogP3.37
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-aminophenyl)-2-(2,4-difluorophenyl)sulfanylethanol
CID 62264392
2-(2-amino-4-fluorophenyl)sulfanyl-1-phenylethanol
CID 60883938
2-(2,4-difluorophenyl)sulfanyl-1-(3-fluorophenyl)ethanamine
CID 107524316
(3-aminophenyl)-(2,4-difluorophenyl)methanol
CID 106695899
3-[3-(2,4-difluorophenyl)sulfanylpropoxy]aniline
CID 43366429
3-[amino-(2,4-difluorophenyl)methyl]aniline
CID 116936583
1-(3-aminophenyl)-2-(3-methylphenyl)sulfanylethanol
CID 62267411
1-(3-aminophenyl)-2-pyridin-2-ylsulfanylethanol
CID 62269524
1-(3-fluorophenyl)-2-(2-methylphenyl)sulfanylethanol
CID 61223548
2-(2,4-difluorophenyl)sulfanylethanamine
CID 43345434
1-(3-aminophenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanol
CID 65038506
1-(3-aminophenyl)-2-[(2-fluorophenyl)methoxy]ethanol
CID 63932629

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-2-(2,4-difluorophenyl)sulfanylethanol?
The IUPAC name of 1-(3-aminophenyl)-2-(2,4-difluorophenyl)sulfanylethanol (CID 62267773) is 1-(3-aminophenyl)-2-(2,4-difluorophenyl)sulfanylethanol.
What is the SMILES notation for 1-(3-aminophenyl)-2-(2,4-difluorophenyl)sulfanylethanol?
The canonical SMILES for 1-(3-aminophenyl)-2-(2,4-difluorophenyl)sulfanylethanol is Nc1cccc(C(O)CSc2ccc(F)cc2F)c1.
What is the InChIKey of 1-(3-aminophenyl)-2-(2,4-difluorophenyl)sulfanylethanol?
The InChIKey is UJWZQUDGSSIVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NOS/c15-10-4-5-14(12(16)7-10)19-8-13(18)9-2-1-3-11(17)6-9/h1-7,13,18H,8,17H2.
What are the key properties of 1-(3-aminophenyl)-2-(2,4-difluorophenyl)sulfanylethanol?
1-(3-aminophenyl)-2-(2,4-difluorophenyl)sulfanylethanol has a molecular weight of 281.33 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-2-(2,4-difluorophenyl)sulfanylethanol is sourced from PubChem (CID 62267773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).