4-ethoxy-2-ethylsulfanyl-5-fluoroaniline

C10H14FNOS — CID 63592722

IUPAC4-ethoxy-2-ethylsulfanyl-5-fluoroaniline
SMILESCCOc1cc(SCC)c(N)cc1F
InChIInChI=1S/C10H14FNOS/c1-3-13-9-6-10(14-4-2)8(12)5-7(9)11/h5-6H,3-4,12H2,1-2H3
InChIKeyFPSCAXJHLUWVDG-UHFFFAOYSA-N
MW215.29 g/mol
LogP2.92
Rot. Bonds4

About 4-ethoxy-2-ethylsulfanyl-5-fluoroaniline

4-ethoxy-2-ethylsulfanyl-5-fluoroaniline (PubChem CID 63592722) has the molecular formula C10H14FNOS and a molecular weight of 215.29 g/mol. Its IUPAC name is 4-ethoxy-2-ethylsulfanyl-5-fluoroaniline.

Molecular Properties

Compound Name4-ethoxy-2-ethylsulfanyl-5-fluoroaniline
PubChem CID63592722
Molecular FormulaC10H14FNOS
Molecular Weight215.29 g/mol
Exact Mass215.08
IUPAC Name4-ethoxy-2-ethylsulfanyl-5-fluoroaniline
SMILESCCOc1cc(SCC)c(N)cc1F
InChIInChI=1S/C10H14FNOS/c1-3-13-9-6-10(14-4-2)8(12)5-7(9)11/h5-6H,3-4,12H2,1-2H3
InChIKeyFPSCAXJHLUWVDG-UHFFFAOYSA-N
XLogP2.92
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethylsulfanyl-4,5-difluoroaniline
CID 130536650
2-(2-amino-5-ethoxy-4-fluorophenyl)sulfanylpyrimidine-4,6-diamine
CID 63594148
2-(3,4-difluorophenyl)sulfanyl-4-ethoxy-5-fluoroaniline
CID 63593255
2-(2-bromophenyl)sulfanyl-4-ethoxy-5-fluoroaniline
CID 55217243
4-bromo-2-ethylsulfanyl-5-fluoroaniline
CID 116736796
1,4-diethoxy-2,5-difluorobenzene
CID 58718970
2-ethylsulfanyl-4,5-dimethoxyaniline
CID 12694267
4-ethoxy-5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline
CID 63594501
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-4-ethoxy-5-fluoroaniline
CID 63593075
5-(2-amino-5-ethoxy-4-fluorophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63737456
3-(2-amino-4-fluoro-5-propoxyphenyl)sulfanylpropane-1,2-diol
CID 79682694
4-ethoxy-5-fluoro-2-[(2-methylpropan-2-yl)oxy]aniline
CID 63593249

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-ethylsulfanyl-5-fluoroaniline?
The IUPAC name of 4-ethoxy-2-ethylsulfanyl-5-fluoroaniline (CID 63592722) is 4-ethoxy-2-ethylsulfanyl-5-fluoroaniline.
What is the SMILES notation for 4-ethoxy-2-ethylsulfanyl-5-fluoroaniline?
The canonical SMILES for 4-ethoxy-2-ethylsulfanyl-5-fluoroaniline is CCOc1cc(SCC)c(N)cc1F.
What is the InChIKey of 4-ethoxy-2-ethylsulfanyl-5-fluoroaniline?
The InChIKey is FPSCAXJHLUWVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNOS/c1-3-13-9-6-10(14-4-2)8(12)5-7(9)11/h5-6H,3-4,12H2,1-2H3.
What are the key properties of 4-ethoxy-2-ethylsulfanyl-5-fluoroaniline?
4-ethoxy-2-ethylsulfanyl-5-fluoroaniline has a molecular weight of 215.29 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-ethylsulfanyl-5-fluoroaniline is sourced from PubChem (CID 63592722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).