4-[2-(4-fluorophenyl)sulfanylethoxy]aniline

C14H14FNOS — CID 43366307

IUPAC4-[2-(4-fluorophenyl)sulfanylethoxy]aniline
SMILESNc1ccc(OCCSc2ccc(F)cc2)cc1
InChIInChI=1S/C14H14FNOS/c15-11-1-7-14(8-2-11)18-10-9-17-13-5-3-12(16)4-6-13/h1-8H,9-10,16H2
InChIKeyUSQPTJDHGDKLBZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.58
Rot. Bonds5

About 4-[2-(4-fluorophenyl)sulfanylethoxy]aniline

4-[2-(4-fluorophenyl)sulfanylethoxy]aniline (PubChem CID 43366307) has the molecular formula C14H14FNOS and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)sulfanylethoxy]aniline.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)sulfanylethoxy]aniline
PubChem CID43366307
Molecular FormulaC14H14FNOS
Molecular Weight263.34 g/mol
Exact Mass263.08
IUPAC Name4-[2-(4-fluorophenyl)sulfanylethoxy]aniline
SMILESNc1ccc(OCCSc2ccc(F)cc2)cc1
InChIInChI=1S/C14H14FNOS/c15-11-1-7-14(8-2-11)18-10-9-17-13-5-3-12(16)4-6-13/h1-8H,9-10,16H2
InChIKeyUSQPTJDHGDKLBZ-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[2-(4-chlorophenyl)sulfanylethoxy]aniline
CID 43174483
1-bromo-4-[2-(4-fluorophenyl)sulfanylethoxy]benzene
CID 60623467
3-[2-(4-fluorophenoxy)ethylsulfanyl]aniline
CID 79134561
4-[2-(4-tert-butylphenyl)sulfanylethoxy]aniline
CID 43366413
4-[3-(4-methylphenyl)sulfanylpropoxy]aniline
CID 43366275
4-[3-(3,4-difluorophenyl)sulfanylpropoxy]aniline
CID 43366417
4-[2-(4-methylsulfanylphenoxy)ethoxy]aniline
CID 63648995
4-(4-phenylsulfanylbutoxy)aniline
CID 82097952
2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-5-fluoroaniline
CID 43304030
5-bromo-2-[2-(4-fluorophenoxy)ethylsulfanyl]aniline
CID 43305986
5-[2-(4-fluorophenoxy)ethylsulfanyl]-4-methyl-1,2,4-triazol-3-amine
CID 47158236
5-fluoro-2-(2-phenoxyethylsulfanyl)aniline
CID 43304229

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)sulfanylethoxy]aniline?
The IUPAC name of 4-[2-(4-fluorophenyl)sulfanylethoxy]aniline (CID 43366307) is 4-[2-(4-fluorophenyl)sulfanylethoxy]aniline.
What is the SMILES notation for 4-[2-(4-fluorophenyl)sulfanylethoxy]aniline?
The canonical SMILES for 4-[2-(4-fluorophenyl)sulfanylethoxy]aniline is Nc1ccc(OCCSc2ccc(F)cc2)cc1.
What is the InChIKey of 4-[2-(4-fluorophenyl)sulfanylethoxy]aniline?
The InChIKey is USQPTJDHGDKLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNOS/c15-11-1-7-14(8-2-11)18-10-9-17-13-5-3-12(16)4-6-13/h1-8H,9-10,16H2.
What are the key properties of 4-[2-(4-fluorophenyl)sulfanylethoxy]aniline?
4-[2-(4-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 4-[2-(4-fluorophenyl)sulfanylethoxy]aniline is sourced from PubChem (CID 43366307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).