5-fluoro-2-(2-phenoxyethylsulfanyl)aniline

C14H14FNOS — CID 43304229

IUPAC5-fluoro-2-(2-phenoxyethylsulfanyl)aniline
SMILESNc1cc(F)ccc1SCCOc1ccccc1
InChIInChI=1S/C14H14FNOS/c15-11-6-7-14(13(16)10-11)18-9-8-17-12-4-2-1-3-5-12/h1-7,10H,8-9,16H2
InChIKeyVKNCCVIDSZZNGA-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.58
Rot. Bonds5

About 5-fluoro-2-(2-phenoxyethylsulfanyl)aniline

5-fluoro-2-(2-phenoxyethylsulfanyl)aniline (PubChem CID 43304229) has the molecular formula C14H14FNOS and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-fluoro-2-(2-phenoxyethylsulfanyl)aniline.

Molecular Properties

Compound Name5-fluoro-2-(2-phenoxyethylsulfanyl)aniline
PubChem CID43304229
Molecular FormulaC14H14FNOS
Molecular Weight263.34 g/mol
Exact Mass263.08
IUPAC Name5-fluoro-2-(2-phenoxyethylsulfanyl)aniline
SMILESNc1cc(F)ccc1SCCOc1ccccc1
InChIInChI=1S/C14H14FNOS/c15-11-6-7-14(13(16)10-11)18-9-8-17-12-4-2-1-3-5-12/h1-7,10H,8-9,16H2
InChIKeyVKNCCVIDSZZNGA-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

4-fluoro-2-(2-phenoxyethylsulfanyl)aniline
CID 79148795
2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-5-fluoroaniline
CID 43304030
4-[2-(2-amino-4-fluorophenyl)sulfanylethoxy]benzoic acid
CID 61317623
5-methyl-2-(2-phenoxyethylsulfanyl)aniline
CID 43302590
5-fluoro-2-(2-phenylsulfanylethylsulfanyl)aniline
CID 79222282
5-bromo-2-[2-(4-fluorophenoxy)ethylsulfanyl]aniline
CID 43305986
2-[2-(2-aminoethoxy)ethylsulfanyl]-5-fluoroaniline
CID 103482663
4-fluoro-2-[2-(4-methylphenoxy)ethylsulfanyl]aniline
CID 79144279
5-fluoro-2-(3-methoxypropylsulfanyl)aniline
CID 60926666
2-[2-(4-fluorophenoxy)ethylsulfanyl]benzoic acid
CID 43238210
2-[2-(2-fluorophenyl)sulfanylethoxy]aniline
CID 43174494
4-[2-(4-fluorophenyl)sulfanylethoxy]aniline
CID 43366307

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2-phenoxyethylsulfanyl)aniline?
The IUPAC name of 5-fluoro-2-(2-phenoxyethylsulfanyl)aniline (CID 43304229) is 5-fluoro-2-(2-phenoxyethylsulfanyl)aniline.
What is the SMILES notation for 5-fluoro-2-(2-phenoxyethylsulfanyl)aniline?
The canonical SMILES for 5-fluoro-2-(2-phenoxyethylsulfanyl)aniline is Nc1cc(F)ccc1SCCOc1ccccc1.
What is the InChIKey of 5-fluoro-2-(2-phenoxyethylsulfanyl)aniline?
The InChIKey is VKNCCVIDSZZNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNOS/c15-11-6-7-14(13(16)10-11)18-9-8-17-12-4-2-1-3-5-12/h1-7,10H,8-9,16H2.
What are the key properties of 5-fluoro-2-(2-phenoxyethylsulfanyl)aniline?
5-fluoro-2-(2-phenoxyethylsulfanyl)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 5-fluoro-2-(2-phenoxyethylsulfanyl)aniline is sourced from PubChem (CID 43304229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).