4-[1-(2,4-difluorophenyl)sulfanylethyl]aniline

C14H13F2NS — CID 61262417

IUPAC4-[1-(2,4-difluorophenyl)sulfanylethyl]aniline
SMILESCC(Sc1ccc(F)cc1F)c1ccc(N)cc1
InChIInChI=1S/C14H13F2NS/c1-9(10-2-5-12(17)6-3-10)18-14-7-4-11(15)8-13(14)16/h2-9H,17H2,1H3
InChIKeyRPWQHJFHRQIKMP-UHFFFAOYSA-N
MW265.33 g/mol
LogP4.40
Rot. Bonds3

About 4-[1-(2,4-difluorophenyl)sulfanylethyl]aniline

4-[1-(2,4-difluorophenyl)sulfanylethyl]aniline (PubChem CID 61262417) has the molecular formula C14H13F2NS and a molecular weight of 265.33 g/mol. Its IUPAC name is 4-[1-(2,4-difluorophenyl)sulfanylethyl]aniline.

Molecular Properties

Compound Name4-[1-(2,4-difluorophenyl)sulfanylethyl]aniline
PubChem CID61262417
Molecular FormulaC14H13F2NS
Molecular Weight265.33 g/mol
Exact Mass265.07
IUPAC Name4-[1-(2,4-difluorophenyl)sulfanylethyl]aniline
SMILESCC(Sc1ccc(F)cc1F)c1ccc(N)cc1
InChIInChI=1S/C14H13F2NS/c1-9(10-2-5-12(17)6-3-10)18-14-7-4-11(15)8-13(14)16/h2-9H,17H2,1H3
InChIKeyRPWQHJFHRQIKMP-UHFFFAOYSA-N
XLogP4.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-aminophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 43345467
1-(4-aminophenyl)-2-(2,4-difluorophenyl)sulfanylethanol
CID 62264392
(2S)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 9046479
2-(2,4-difluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanamine
CID 64613499
1-[4-(2,4-difluorophenyl)sulfanylphenyl]ethanamine
CID 43167568
4-[1-(2-chlorophenyl)sulfanylethyl]aniline
CID 61263538
(1S)-1-[4-(2,4-difluorophenyl)sulfanyl-3-fluorophenyl]ethanol
CID 63812972
ethyl 2-(2,4-difluorophenyl)sulfanyl-2-phenylacetate
CID 103603359
2-(2,4-difluorophenyl)sulfanylethanamine
CID 43345434
4-[1-(3,4-dimethylphenyl)sulfanylethyl]aniline
CID 61261294
(1R)-1-[3-chloro-4-(2,4-difluorophenyl)sulfanylphenyl]ethanamine
CID 55184274
2-(4-amino-2-fluorophenyl)sulfanylpropanamide
CID 43303751

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,4-difluorophenyl)sulfanylethyl]aniline?
The IUPAC name of 4-[1-(2,4-difluorophenyl)sulfanylethyl]aniline (CID 61262417) is 4-[1-(2,4-difluorophenyl)sulfanylethyl]aniline.
What is the SMILES notation for 4-[1-(2,4-difluorophenyl)sulfanylethyl]aniline?
The canonical SMILES for 4-[1-(2,4-difluorophenyl)sulfanylethyl]aniline is CC(Sc1ccc(F)cc1F)c1ccc(N)cc1.
What is the InChIKey of 4-[1-(2,4-difluorophenyl)sulfanylethyl]aniline?
The InChIKey is RPWQHJFHRQIKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NS/c1-9(10-2-5-12(17)6-3-10)18-14-7-4-11(15)8-13(14)16/h2-9H,17H2,1H3.
What are the key properties of 4-[1-(2,4-difluorophenyl)sulfanylethyl]aniline?
4-[1-(2,4-difluorophenyl)sulfanylethyl]aniline has a molecular weight of 265.33 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,4-difluorophenyl)sulfanylethyl]aniline is sourced from PubChem (CID 61262417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).