2-fluoro-4-[2-(4-methoxyphenoxy)ethylsulfinyl]aniline

C15H16FNO3S — CID 81192299

IUPAC2-fluoro-4-[2-(4-methoxyphenoxy)ethylsulfinyl]aniline
SMILESCOc1ccc(OCCS(=O)c2ccc(N)c(F)c2)cc1
InChIInChI=1S/C15H16FNO3S/c1-19-11-2-4-12(5-3-11)20-8-9-21(18)13-6-7-15(17)14(16)10-13/h2-7,10H,8-9,17H2,1H3
InChIKeySCBROBASKSSDFX-UHFFFAOYSA-N
MW309.36 g/mol
LogP2.60
Rot. Bonds6

About 2-fluoro-4-[2-(4-methoxyphenoxy)ethylsulfinyl]aniline

2-fluoro-4-[2-(4-methoxyphenoxy)ethylsulfinyl]aniline (PubChem CID 81192299) has the molecular formula C15H16FNO3S and a molecular weight of 309.36 g/mol. Its IUPAC name is 2-fluoro-4-[2-(4-methoxyphenoxy)ethylsulfinyl]aniline.

Molecular Properties

Compound Name2-fluoro-4-[2-(4-methoxyphenoxy)ethylsulfinyl]aniline
PubChem CID81192299
Molecular FormulaC15H16FNO3S
Molecular Weight309.36 g/mol
Exact Mass309.08
IUPAC Name2-fluoro-4-[2-(4-methoxyphenoxy)ethylsulfinyl]aniline
SMILESCOc1ccc(OCCS(=O)c2ccc(N)c(F)c2)cc1
InChIInChI=1S/C15H16FNO3S/c1-19-11-2-4-12(5-3-11)20-8-9-21(18)13-6-7-15(17)14(16)10-13/h2-7,10H,8-9,17H2,1H3
InChIKeySCBROBASKSSDFX-UHFFFAOYSA-N
XLogP2.60
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-4-[2-(4-methoxyphenyl)ethylsulfinyl]aniline
CID 81191169
2-fluoro-4-(3-phenoxypropylsulfinyl)aniline
CID 81191334
2-fluoro-4-[(2-fluoro-4-methoxyphenyl)methylsulfinyl]aniline
CID 102879980
2-fluoro-4-(methoxymethylsulfinyl)aniline
CID 81191003
2-fluoro-4-pentylsulfinylaniline
CID 81190922
4-[2-(3,4-dimethylphenyl)sulfinylethoxy]aniline
CID 61302605
1,2-difluoro-4-[(S)-2-(4-methoxyphenyl)ethylsulfinyl]benzene
CID 99832944
3-[2-(3-methoxyphenyl)sulfinylethoxy]aniline
CID 61302237
2-fluoro-4-methoxyaniline
CID 3756383
3-(4-amino-3-fluorophenyl)sulfinyl-N,N-dimethylpropanamide
CID 81190997
4-[2-(3-methylphenyl)sulfinylethoxy]aniline
CID 61289269
2-[3-(4-methoxyphenyl)sulfinylpropoxy]aniline
CID 61302811

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[2-(4-methoxyphenoxy)ethylsulfinyl]aniline?
The IUPAC name of 2-fluoro-4-[2-(4-methoxyphenoxy)ethylsulfinyl]aniline (CID 81192299) is 2-fluoro-4-[2-(4-methoxyphenoxy)ethylsulfinyl]aniline.
What is the SMILES notation for 2-fluoro-4-[2-(4-methoxyphenoxy)ethylsulfinyl]aniline?
The canonical SMILES for 2-fluoro-4-[2-(4-methoxyphenoxy)ethylsulfinyl]aniline is COc1ccc(OCCS(=O)c2ccc(N)c(F)c2)cc1.
What is the InChIKey of 2-fluoro-4-[2-(4-methoxyphenoxy)ethylsulfinyl]aniline?
The InChIKey is SCBROBASKSSDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3S/c1-19-11-2-4-12(5-3-11)20-8-9-21(18)13-6-7-15(17)14(16)10-13/h2-7,10H,8-9,17H2,1H3.
What are the key properties of 2-fluoro-4-[2-(4-methoxyphenoxy)ethylsulfinyl]aniline?
2-fluoro-4-[2-(4-methoxyphenoxy)ethylsulfinyl]aniline has a molecular weight of 309.36 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[2-(4-methoxyphenoxy)ethylsulfinyl]aniline is sourced from PubChem (CID 81192299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).