2-[2-(2-aminoethoxy)ethylsulfanyl]-5-fluoroaniline

C10H15FN2OS — CID 103482663

IUPAC2-[2-(2-aminoethoxy)ethylsulfanyl]-5-fluoroaniline
SMILESNCCOCCSc1ccc(F)cc1N
InChIInChI=1S/C10H15FN2OS/c11-8-1-2-10(9(13)7-8)15-6-5-14-4-3-12/h1-2,7H,3-6,12-13H2
InChIKeyGVOHVRNNKXRGMY-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.48
Rot. Bonds6

About 2-[2-(2-aminoethoxy)ethylsulfanyl]-5-fluoroaniline

2-[2-(2-aminoethoxy)ethylsulfanyl]-5-fluoroaniline (PubChem CID 103482663) has the molecular formula C10H15FN2OS and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[2-(2-aminoethoxy)ethylsulfanyl]-5-fluoroaniline.

Molecular Properties

Compound Name2-[2-(2-aminoethoxy)ethylsulfanyl]-5-fluoroaniline
PubChem CID103482663
Molecular FormulaC10H15FN2OS
Molecular Weight230.31 g/mol
Exact Mass230.09
IUPAC Name2-[2-(2-aminoethoxy)ethylsulfanyl]-5-fluoroaniline
SMILESNCCOCCSc1ccc(F)cc1N
InChIInChI=1S/C10H15FN2OS/c11-8-1-2-10(9(13)7-8)15-6-5-14-4-3-12/h1-2,7H,3-6,12-13H2
InChIKeyGVOHVRNNKXRGMY-UHFFFAOYSA-N
XLogP1.48
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[2-(2-aminoethoxy)ethylsulfanyl]aniline
CID 103482660
5-fluoro-2-[3-(2,2,2-trifluoroethoxy)propylsulfanyl]aniline
CID 54962136
5-fluoro-2-(2-phenoxyethylsulfanyl)aniline
CID 43304229
5-fluoro-2-(3-methoxypropylsulfanyl)aniline
CID 60926666
5-fluoro-2-(2-phenylsulfanylethylsulfanyl)aniline
CID 79222282
2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-5-fluoroaniline
CID 43304030
4-fluoro-2-[2-(2,2,2-trifluoroethoxy)ethylsulfanyl]aniline
CID 79148523
5-fluoro-2-(methoxymethylsulfanyl)aniline
CID 65364453
2-(2,4-difluorophenyl)sulfanylethanamine
CID 43345434
4-[2-(2-amino-4-fluorophenyl)sulfanylethoxy]benzoic acid
CID 61317623
2-[2-(2,5-dimethylphenyl)sulfanylethoxy]ethanamine
CID 94684706
4-fluoro-2-[2-(2-methylpropoxy)ethylsulfanyl]aniline
CID 106453386

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethoxy)ethylsulfanyl]-5-fluoroaniline?
The IUPAC name of 2-[2-(2-aminoethoxy)ethylsulfanyl]-5-fluoroaniline (CID 103482663) is 2-[2-(2-aminoethoxy)ethylsulfanyl]-5-fluoroaniline.
What is the SMILES notation for 2-[2-(2-aminoethoxy)ethylsulfanyl]-5-fluoroaniline?
The canonical SMILES for 2-[2-(2-aminoethoxy)ethylsulfanyl]-5-fluoroaniline is NCCOCCSc1ccc(F)cc1N.
What is the InChIKey of 2-[2-(2-aminoethoxy)ethylsulfanyl]-5-fluoroaniline?
The InChIKey is GVOHVRNNKXRGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2OS/c11-8-1-2-10(9(13)7-8)15-6-5-14-4-3-12/h1-2,7H,3-6,12-13H2.
What are the key properties of 2-[2-(2-aminoethoxy)ethylsulfanyl]-5-fluoroaniline?
2-[2-(2-aminoethoxy)ethylsulfanyl]-5-fluoroaniline has a molecular weight of 230.31 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethoxy)ethylsulfanyl]-5-fluoroaniline is sourced from PubChem (CID 103482663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).