2-[3-(2-fluorophenyl)sulfinylpropoxy]aniline

C15H16FNO2S — CID 61302417

IUPAC2-[3-(2-fluorophenyl)sulfinylpropoxy]aniline
SMILESNc1ccccc1OCCCS(=O)c1ccccc1F
InChIInChI=1S/C15H16FNO2S/c16-12-6-1-4-9-15(12)20(18)11-5-10-19-14-8-3-2-7-13(14)17/h1-4,6-9H,5,10-11,17H2
InChIKeyNTGFOPBFXXRDBR-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.98
Rot. Bonds6

About 2-[3-(2-fluorophenyl)sulfinylpropoxy]aniline

2-[3-(2-fluorophenyl)sulfinylpropoxy]aniline (PubChem CID 61302417) has the molecular formula C15H16FNO2S and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-[3-(2-fluorophenyl)sulfinylpropoxy]aniline.

Molecular Properties

Compound Name2-[3-(2-fluorophenyl)sulfinylpropoxy]aniline
PubChem CID61302417
Molecular FormulaC15H16FNO2S
Molecular Weight293.36 g/mol
Exact Mass293.09
IUPAC Name2-[3-(2-fluorophenyl)sulfinylpropoxy]aniline
SMILESNc1ccccc1OCCCS(=O)c1ccccc1F
InChIInChI=1S/C15H16FNO2S/c16-12-6-1-4-9-15(12)20(18)11-5-10-19-14-8-3-2-7-13(14)17/h1-4,6-9H,5,10-11,17H2
InChIKeyNTGFOPBFXXRDBR-UHFFFAOYSA-N
XLogP2.98
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.98
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

2-[3-(4-bromophenyl)sulfinylpropoxy]aniline
CID 61289024
2-[3-(4-methoxyphenyl)sulfinylpropoxy]aniline
CID 61302811
3-fluoro-2-[(2-fluorophenyl)sulfinylmethyl]aniline
CID 55201728
1-fluoro-2-[2-(3-methoxypropoxy)ethylsulfinyl]benzene
CID 103184357
1-(3-azidopropylsulfinyl)-2-fluorobenzene
CID 61396870
2-[3-[3-(2-aminophenoxy)propoxy]propoxy]aniline
CID 102305462
4-[3-(2,4-difluorophenyl)sulfinylpropoxy]aniline
CID 61287414
2-[3-[(2-fluorophenyl)methyl-methylamino]propoxy]aniline
CID 43574984
2-[3-[(2-chlorophenyl)methylsulfinyl]propoxy]aniline
CID 103289261
2-[2-(2-fluorophenyl)sulfanylethoxy]aniline
CID 43174494
1-fluoro-2-(methoxymethylsulfinyl)benzene
CID 65364545
2-(3-phenoxypropylsulfinyl)pyridin-3-amine
CID 62937847

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-fluorophenyl)sulfinylpropoxy]aniline?
The IUPAC name of 2-[3-(2-fluorophenyl)sulfinylpropoxy]aniline (CID 61302417) is 2-[3-(2-fluorophenyl)sulfinylpropoxy]aniline.
What is the SMILES notation for 2-[3-(2-fluorophenyl)sulfinylpropoxy]aniline?
The canonical SMILES for 2-[3-(2-fluorophenyl)sulfinylpropoxy]aniline is Nc1ccccc1OCCCS(=O)c1ccccc1F.
What is the InChIKey of 2-[3-(2-fluorophenyl)sulfinylpropoxy]aniline?
The InChIKey is NTGFOPBFXXRDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2S/c16-12-6-1-4-9-15(12)20(18)11-5-10-19-14-8-3-2-7-13(14)17/h1-4,6-9H,5,10-11,17H2.
What are the key properties of 2-[3-(2-fluorophenyl)sulfinylpropoxy]aniline?
2-[3-(2-fluorophenyl)sulfinylpropoxy]aniline has a molecular weight of 293.36 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-fluorophenyl)sulfinylpropoxy]aniline is sourced from PubChem (CID 61302417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).