2-[3-(2,5-difluorophenyl)sulfanylpropoxy]aniline

C15H15F2NOS — CID 43518988

IUPAC2-[3-(2,5-difluorophenyl)sulfanylpropoxy]aniline
SMILESNc1ccccc1OCCCSc1cc(F)ccc1F
InChIInChI=1S/C15H15F2NOS/c16-11-6-7-12(17)15(10-11)20-9-3-8-19-14-5-2-1-4-13(14)18/h1-2,4-7,10H,3,8-9,18H2
InChIKeyAPDKAKHOWMSISP-UHFFFAOYSA-N
MW295.35 g/mol
LogP4.11
Rot. Bonds6

About 2-[3-(2,5-difluorophenyl)sulfanylpropoxy]aniline

2-[3-(2,5-difluorophenyl)sulfanylpropoxy]aniline (PubChem CID 43518988) has the molecular formula C15H15F2NOS and a molecular weight of 295.35 g/mol. Its IUPAC name is 2-[3-(2,5-difluorophenyl)sulfanylpropoxy]aniline.

Molecular Properties

Compound Name2-[3-(2,5-difluorophenyl)sulfanylpropoxy]aniline
PubChem CID43518988
Molecular FormulaC15H15F2NOS
Molecular Weight295.35 g/mol
Exact Mass295.08
IUPAC Name2-[3-(2,5-difluorophenyl)sulfanylpropoxy]aniline
SMILESNc1ccccc1OCCCSc1cc(F)ccc1F
InChIInChI=1S/C15H15F2NOS/c16-11-6-7-12(17)15(10-11)20-9-3-8-19-14-5-2-1-4-13(14)18/h1-2,4-7,10H,3,8-9,18H2
InChIKeyAPDKAKHOWMSISP-UHFFFAOYSA-N
XLogP4.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[3-(2,5-difluorophenyl)sulfanylpropoxy]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(2-fluorophenyl)sulfanylethoxy]aniline
CID 43174494
4-(2,5-difluorophenyl)sulfanylbutan-1-amine
CID 43530759
2-[3-(3-chlorophenyl)sulfanylpropoxy]aniline
CID 62645754
3-[3-(2,4-difluorophenyl)sulfanylpropoxy]aniline
CID 43366429
2-[3-(2,4-difluorophenyl)sulfanylpropoxy]benzonitrile
CID 43290144
4-fluoro-2-[2-(2-fluorophenyl)sulfanylethylsulfanyl]aniline
CID 79147727
4-fluoro-2-(2-phenoxyethylsulfanyl)aniline
CID 79148795
4-chloro-2-[2-(2-fluorophenoxy)ethylsulfanyl]aniline
CID 79527953
4-chloro-2-[3-(4-fluorophenoxy)propylsulfanyl]aniline
CID 79528813
5-(2,5-difluorophenyl)sulfanylpentan-1-ol
CID 62226939
5-fluoro-2-(3-methoxypropylsulfanyl)aniline
CID 60926666
5-(2,5-difluorophenyl)sulfanylpentanenitrile
CID 60665590

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,5-difluorophenyl)sulfanylpropoxy]aniline?
The IUPAC name of 2-[3-(2,5-difluorophenyl)sulfanylpropoxy]aniline (CID 43518988) is 2-[3-(2,5-difluorophenyl)sulfanylpropoxy]aniline.
What is the SMILES notation for 2-[3-(2,5-difluorophenyl)sulfanylpropoxy]aniline?
The canonical SMILES for 2-[3-(2,5-difluorophenyl)sulfanylpropoxy]aniline is Nc1ccccc1OCCCSc1cc(F)ccc1F.
What is the InChIKey of 2-[3-(2,5-difluorophenyl)sulfanylpropoxy]aniline?
The InChIKey is APDKAKHOWMSISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NOS/c16-11-6-7-12(17)15(10-11)20-9-3-8-19-14-5-2-1-4-13(14)18/h1-2,4-7,10H,3,8-9,18H2.
What are the key properties of 2-[3-(2,5-difluorophenyl)sulfanylpropoxy]aniline?
2-[3-(2,5-difluorophenyl)sulfanylpropoxy]aniline has a molecular weight of 295.35 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,5-difluorophenyl)sulfanylpropoxy]aniline is sourced from PubChem (CID 43518988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).