4-fluoro-2-(2-phenoxyethylsulfanyl)aniline

C14H14FNOS — CID 79148795

IUPAC4-fluoro-2-(2-phenoxyethylsulfanyl)aniline
SMILESNc1ccc(F)cc1SCCOc1ccccc1
InChIInChI=1S/C14H14FNOS/c15-11-6-7-13(16)14(10-11)18-9-8-17-12-4-2-1-3-5-12/h1-7,10H,8-9,16H2
InChIKeyVZKZPDRDYWRBCF-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.58
Rot. Bonds5

About 4-fluoro-2-(2-phenoxyethylsulfanyl)aniline

4-fluoro-2-(2-phenoxyethylsulfanyl)aniline (PubChem CID 79148795) has the molecular formula C14H14FNOS and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-fluoro-2-(2-phenoxyethylsulfanyl)aniline.

Molecular Properties

Compound Name4-fluoro-2-(2-phenoxyethylsulfanyl)aniline
PubChem CID79148795
Molecular FormulaC14H14FNOS
Molecular Weight263.34 g/mol
Exact Mass263.08
IUPAC Name4-fluoro-2-(2-phenoxyethylsulfanyl)aniline
SMILESNc1ccc(F)cc1SCCOc1ccccc1
InChIInChI=1S/C14H14FNOS/c15-11-6-7-13(16)14(10-11)18-9-8-17-12-4-2-1-3-5-12/h1-7,10H,8-9,16H2
InChIKeyVZKZPDRDYWRBCF-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

5-fluoro-2-(2-phenoxyethylsulfanyl)aniline
CID 43304229
4-fluoro-2-[2-(4-methylphenoxy)ethylsulfanyl]aniline
CID 79144279
4-fluoro-2-[2-(2-fluorophenyl)sulfanylethylsulfanyl]aniline
CID 79147727
2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-5-fluoroaniline
CID 43304030
4-fluoro-2-[2-(2-methylpropoxy)ethylsulfanyl]aniline
CID 106453386
5-methyl-2-(2-phenoxyethylsulfanyl)aniline
CID 43302590
4-fluoro-2-[2-(2,2,2-trifluoroethoxy)ethylsulfanyl]aniline
CID 79148523
4-chloro-2-[2-(2-fluorophenoxy)ethylsulfanyl]aniline
CID 79527953
4-chloro-2-[3-(4-fluorophenoxy)propylsulfanyl]aniline
CID 79528813
4-[2-(2-amino-4-fluorophenyl)sulfanylethoxy]benzoic acid
CID 61317623
5-bromo-2-[2-(4-fluorophenoxy)ethylsulfanyl]aniline
CID 43305986
2-[2-(4-bromophenoxy)ethylsulfanyl]-1,4-difluorobenzene
CID 55027206

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(2-phenoxyethylsulfanyl)aniline?
The IUPAC name of 4-fluoro-2-(2-phenoxyethylsulfanyl)aniline (CID 79148795) is 4-fluoro-2-(2-phenoxyethylsulfanyl)aniline.
What is the SMILES notation for 4-fluoro-2-(2-phenoxyethylsulfanyl)aniline?
The canonical SMILES for 4-fluoro-2-(2-phenoxyethylsulfanyl)aniline is Nc1ccc(F)cc1SCCOc1ccccc1.
What is the InChIKey of 4-fluoro-2-(2-phenoxyethylsulfanyl)aniline?
The InChIKey is VZKZPDRDYWRBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNOS/c15-11-6-7-13(16)14(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 4-fluoro-2-(2-phenoxyethylsulfanyl)aniline?
4-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 4-fluoro-2-(2-phenoxyethylsulfanyl)aniline is sourced from PubChem (CID 79148795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).