1-[2-(2,5-difluorophenyl)sulfanylphenyl]ethanamine

C14H13F2NS — CID 43519087

IUPAC1-[2-(2,5-difluorophenyl)sulfanylphenyl]ethanamine
SMILESCC(N)c1ccccc1Sc1cc(F)ccc1F
InChIInChI=1S/C14H13F2NS/c1-9(17)11-4-2-3-5-13(11)18-14-8-10(15)6-7-12(14)16/h2-9H,17H2,1H3
InChIKeyLFRQBOMHLHMARD-UHFFFAOYSA-N
MW265.33 g/mol
LogP4.14
Rot. Bonds3

About 1-[2-(2,5-difluorophenyl)sulfanylphenyl]ethanamine

1-[2-(2,5-difluorophenyl)sulfanylphenyl]ethanamine (PubChem CID 43519087) has the molecular formula C14H13F2NS and a molecular weight of 265.33 g/mol. Its IUPAC name is 1-[2-(2,5-difluorophenyl)sulfanylphenyl]ethanamine.

Molecular Properties

Compound Name1-[2-(2,5-difluorophenyl)sulfanylphenyl]ethanamine
PubChem CID43519087
Molecular FormulaC14H13F2NS
Molecular Weight265.33 g/mol
Exact Mass265.07
IUPAC Name1-[2-(2,5-difluorophenyl)sulfanylphenyl]ethanamine
SMILESCC(N)c1ccccc1Sc1cc(F)ccc1F
InChIInChI=1S/C14H13F2NS/c1-9(17)11-4-2-3-5-13(11)18-14-8-10(15)6-7-12(14)16/h2-9H,17H2,1H3
InChIKeyLFRQBOMHLHMARD-UHFFFAOYSA-N
XLogP4.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-fluoro-2-(2-fluorophenyl)sulfanylphenyl]ethanamine
CID 43189296
(1R)-1-[4-(2,5-difluorophenyl)sulfanyl-3-fluorophenyl]ethanamine
CID 63370213
(1R)-1-[2-(2-bromophenyl)sulfanylphenyl]ethanamine
CID 78938611
(1S)-1-(2,5-difluorophenyl)ethanamine;hydrochloride
CID 53484729
1-[2-(2,5-difluorophenoxy)phenyl]ethanamine
CID 55168326
1-[2-(2,5-difluorophenyl)sulfanyl-5-fluorophenyl]-N-methylethanamine
CID 43519080
1-[2-(2,4-difluorophenyl)sulfanylphenyl]propan-1-amine
CID 112678597
1-[2-(2,4-difluorophenyl)phenyl]ethanamine
CID 22482376
(1R)-1-[5-fluoro-2-(2-nitrophenyl)sulfanylphenyl]ethanamine
CID 63370307
1-[5-bromo-2-(2,5-difluorophenyl)sulfanylphenyl]ethanol
CID 82973110
1-[5-fluoro-2-(4-fluorophenyl)sulfanylphenyl]ethanamine
CID 43189308
1-[2-(2,4-difluorophenyl)sulfanyl-6-fluorophenyl]ethanamine
CID 43345496

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-difluorophenyl)sulfanylphenyl]ethanamine?
The IUPAC name of 1-[2-(2,5-difluorophenyl)sulfanylphenyl]ethanamine (CID 43519087) is 1-[2-(2,5-difluorophenyl)sulfanylphenyl]ethanamine.
What is the SMILES notation for 1-[2-(2,5-difluorophenyl)sulfanylphenyl]ethanamine?
The canonical SMILES for 1-[2-(2,5-difluorophenyl)sulfanylphenyl]ethanamine is CC(N)c1ccccc1Sc1cc(F)ccc1F.
What is the InChIKey of 1-[2-(2,5-difluorophenyl)sulfanylphenyl]ethanamine?
The InChIKey is LFRQBOMHLHMARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NS/c1-9(17)11-4-2-3-5-13(11)18-14-8-10(15)6-7-12(14)16/h2-9H,17H2,1H3.
What are the key properties of 1-[2-(2,5-difluorophenyl)sulfanylphenyl]ethanamine?
1-[2-(2,5-difluorophenyl)sulfanylphenyl]ethanamine has a molecular weight of 265.33 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-difluorophenyl)sulfanylphenyl]ethanamine is sourced from PubChem (CID 43519087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).