1-[4-(2,4-difluorophenyl)sulfanylphenyl]ethanamine

C14H13F2NS — CID 43167568

IUPAC1-[4-(2,4-difluorophenyl)sulfanylphenyl]ethanamine
SMILESCC(N)c1ccc(Sc2ccc(F)cc2F)cc1
InChIInChI=1S/C14H13F2NS/c1-9(17)10-2-5-12(6-3-10)18-14-7-4-11(15)8-13(14)16/h2-9H,17H2,1H3
InChIKeyLUXPTUQMSUDSRQ-UHFFFAOYSA-N
MW265.33 g/mol
LogP4.14
Rot. Bonds3

About 1-[4-(2,4-difluorophenyl)sulfanylphenyl]ethanamine

1-[4-(2,4-difluorophenyl)sulfanylphenyl]ethanamine (PubChem CID 43167568) has the molecular formula C14H13F2NS and a molecular weight of 265.33 g/mol. Its IUPAC name is 1-[4-(2,4-difluorophenyl)sulfanylphenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(2,4-difluorophenyl)sulfanylphenyl]ethanamine
PubChem CID43167568
Molecular FormulaC14H13F2NS
Molecular Weight265.33 g/mol
Exact Mass265.07
IUPAC Name1-[4-(2,4-difluorophenyl)sulfanylphenyl]ethanamine
SMILESCC(N)c1ccc(Sc2ccc(F)cc2F)cc1
InChIInChI=1S/C14H13F2NS/c1-9(17)10-2-5-12(6-3-10)18-14-7-4-11(15)8-13(14)16/h2-9H,17H2,1H3
InChIKeyLUXPTUQMSUDSRQ-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

(1R)-1-[4-(4-bromophenyl)sulfanyl-3-fluorophenyl]ethanamine
CID 63370337
(1R)-1-[3-chloro-4-(2,4-difluorophenyl)sulfanylphenyl]ethanamine
CID 55184274
(1R)-1-[4-(2,5-difluorophenyl)sulfanyl-3-fluorophenyl]ethanamine
CID 63370213
1-[3-bromo-4-(4-fluorophenyl)sulfanylphenyl]ethanamine
CID 62912787
(1S)-1-[3-bromo-4-(4-fluorophenyl)sulfanylphenyl]ethanamine
CID 63370290
(1R)-1-[5-(2,4-difluorophenyl)sulfanyl-2-pyridinyl]ethanamine
CID 83123417
4-(2,4-difluorophenyl)sulfanylphenol
CID 177164297
1-[5-fluoro-2-(4-fluorophenyl)sulfanylphenyl]ethanamine
CID 43189308
(1R)-1-(3-fluoro-4-naphthalen-2-ylsulfanylphenyl)ethanamine
CID 63533664
1-[4-(2,4-difluorophenyl)sulfanylphenyl]butan-2-amine
CID 63819664
(1S)-1-[4-(2,4-difluorophenyl)sulfanyl-3-fluorophenyl]ethanol
CID 63812972
1-[2-(2,4-difluorophenyl)sulfanyl-6-fluorophenyl]ethanamine
CID 43345496

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-difluorophenyl)sulfanylphenyl]ethanamine?
The IUPAC name of 1-[4-(2,4-difluorophenyl)sulfanylphenyl]ethanamine (CID 43167568) is 1-[4-(2,4-difluorophenyl)sulfanylphenyl]ethanamine.
What is the SMILES notation for 1-[4-(2,4-difluorophenyl)sulfanylphenyl]ethanamine?
The canonical SMILES for 1-[4-(2,4-difluorophenyl)sulfanylphenyl]ethanamine is CC(N)c1ccc(Sc2ccc(F)cc2F)cc1.
What is the InChIKey of 1-[4-(2,4-difluorophenyl)sulfanylphenyl]ethanamine?
The InChIKey is LUXPTUQMSUDSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NS/c1-9(17)10-2-5-12(6-3-10)18-14-7-4-11(15)8-13(14)16/h2-9H,17H2,1H3.
What are the key properties of 1-[4-(2,4-difluorophenyl)sulfanylphenyl]ethanamine?
1-[4-(2,4-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-[4-(2,4-difluorophenyl)sulfanylphenyl]ethanamine is sourced from PubChem (CID 43167568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).