2-[2-(2-fluorophenyl)sulfanylethoxy]aniline

C14H14FNOS — CID 43174494

IUPAC2-[2-(2-fluorophenyl)sulfanylethoxy]aniline
SMILESNc1ccccc1OCCSc1ccccc1F
InChIInChI=1S/C14H14FNOS/c15-11-5-1-4-8-14(11)18-10-9-17-13-7-3-2-6-12(13)16/h1-8H,9-10,16H2
InChIKeyHHVUJIHFMMTLPZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.58
Rot. Bonds5

About 2-[2-(2-fluorophenyl)sulfanylethoxy]aniline

2-[2-(2-fluorophenyl)sulfanylethoxy]aniline (PubChem CID 43174494) has the molecular formula C14H14FNOS and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)sulfanylethoxy]aniline.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)sulfanylethoxy]aniline
PubChem CID43174494
Molecular FormulaC14H14FNOS
Molecular Weight263.34 g/mol
Exact Mass263.08
IUPAC Name2-[2-(2-fluorophenyl)sulfanylethoxy]aniline
SMILESNc1ccccc1OCCSc1ccccc1F
InChIInChI=1S/C14H14FNOS/c15-11-5-1-4-8-14(11)18-10-9-17-13-7-3-2-6-12(13)16/h1-8H,9-10,16H2
InChIKeyHHVUJIHFMMTLPZ-UHFFFAOYSA-N
XLogP3.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.58
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'}

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Related Compounds

2-[2-(2-fluorophenyl)sulfanylethoxy]benzamide
CID 7702018
2-[3-(2,5-difluorophenyl)sulfanylpropoxy]aniline
CID 43518988
4-chloro-2-[2-(2-fluorophenoxy)ethylsulfanyl]aniline
CID 79527953
2-[2-(4-propan-2-ylphenyl)sulfanylethoxy]aniline
CID 43174497
3-[2-(2-fluorophenoxy)ethylsulfanyl]-4-methylaniline
CID 79141443
4-fluoro-2-[2-(2-fluorophenyl)sulfanylethylsulfanyl]aniline
CID 79147727
3-chloro-2-[2-(2-fluorophenoxy)ethylsulfanyl]aniline
CID 43304729
5-fluoro-2-(2-phenoxyethylsulfanyl)aniline
CID 43304229
4-[2-(2-fluorophenyl)sulfanylethylsulfanyl]-3-methoxyaniline
CID 79830533
2-[2-(2-aminoethoxy)ethylsulfanyl]aniline
CID 103482660
1-(2-aminophenoxy)-3-(2-fluorophenoxy)propan-2-ol
CID 62269719
4-chloro-2-[2-(2-chlorophenoxy)ethylsulfanyl]aniline
CID 79527874

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenyl)sulfanylethoxy]aniline?
The IUPAC name of 2-[2-(2-fluorophenyl)sulfanylethoxy]aniline (CID 43174494) is 2-[2-(2-fluorophenyl)sulfanylethoxy]aniline.
What is the SMILES notation for 2-[2-(2-fluorophenyl)sulfanylethoxy]aniline?
The canonical SMILES for 2-[2-(2-fluorophenyl)sulfanylethoxy]aniline is Nc1ccccc1OCCSc1ccccc1F.
What is the InChIKey of 2-[2-(2-fluorophenyl)sulfanylethoxy]aniline?
The InChIKey is HHVUJIHFMMTLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNOS/c15-11-5-1-4-8-14(11)18-10-9-17-13-7-3-2-6-12(13)16/h1-8H,9-10,16H2.
What are the key properties of 2-[2-(2-fluorophenyl)sulfanylethoxy]aniline?
2-[2-(2-fluorophenyl)sulfanylethoxy]aniline has a molecular weight of 263.34 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenyl)sulfanylethoxy]aniline is sourced from PubChem (CID 43174494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).