1-[2-(2,5-difluorophenyl)sulfanyl-5-fluorophenyl]-N-methylethanamine

C15H14F3NS — CID 43519080

IUPAC1-[2-(2,5-difluorophenyl)sulfanyl-5-fluorophenyl]-N-methylethanamine
SMILESCNC(C)c1cc(F)ccc1Sc1cc(F)ccc1F
InChIInChI=1S/C15H14F3NS/c1-9(19-2)12-7-10(16)4-6-14(12)20-15-8-11(17)3-5-13(15)18/h3-9,19H,1-2H3
InChIKeyZXEVPIWFOSYOGD-UHFFFAOYSA-N
MW297.35 g/mol
LogP4.54
Rot. Bonds4

About 1-[2-(2,5-difluorophenyl)sulfanyl-5-fluorophenyl]-N-methylethanamine

1-[2-(2,5-difluorophenyl)sulfanyl-5-fluorophenyl]-N-methylethanamine (PubChem CID 43519080) has the molecular formula C15H14F3NS and a molecular weight of 297.35 g/mol. Its IUPAC name is 1-[2-(2,5-difluorophenyl)sulfanyl-5-fluorophenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(2,5-difluorophenyl)sulfanyl-5-fluorophenyl]-N-methylethanamine
PubChem CID43519080
Molecular FormulaC15H14F3NS
Molecular Weight297.35 g/mol
Exact Mass297.08
IUPAC Name1-[2-(2,5-difluorophenyl)sulfanyl-5-fluorophenyl]-N-methylethanamine
SMILESCNC(C)c1cc(F)ccc1Sc1cc(F)ccc1F
InChIInChI=1S/C15H14F3NS/c1-9(19-2)12-7-10(16)4-6-14(12)20-15-8-11(17)3-5-13(15)18/h3-9,19H,1-2H3
InChIKeyZXEVPIWFOSYOGD-UHFFFAOYSA-N
XLogP4.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-chlorophenyl)sulfanyl-5-fluorophenyl]-N-methylethanamine
CID 43286131
1-[3-chloro-4-(2,5-difluorophenyl)sulfanylphenyl]-N-methylethanamine
CID 63533351
2-[4-fluoro-2-[1-(methylamino)ethyl]phenyl]sulfanylpyrimidine-4,6-diamine
CID 61295849
1-(5-fluoro-2-propylsulfanylphenyl)-N-methylethanamine
CID 43286109
1-[4-bromo-2-(2,4-difluorophenyl)sulfanylphenyl]-N-methylethanamine
CID 82969297
1-[5-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]-N-methylethanamine
CID 60877704
1-[2-(2,5-difluorophenyl)sulfanylphenyl]ethanamine
CID 43519087
1-[5-bromo-2-(2,5-difluorophenyl)sulfanylphenyl]ethanol
CID 82973110
1-[2-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluorophenyl]-N-methylethanamine
CID 55070494
1-(5-fluoro-1-benzothiophen-3-yl)-N-methylethanamine
CID 117195555
1-[5-fluoro-2-(2-fluorophenyl)sulfanylphenyl]ethanamine
CID 43189296
(1R)-1-[4-(2,5-difluorophenyl)sulfanyl-3-fluorophenyl]ethanamine
CID 63370213

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-difluorophenyl)sulfanyl-5-fluorophenyl]-N-methylethanamine?
The IUPAC name of 1-[2-(2,5-difluorophenyl)sulfanyl-5-fluorophenyl]-N-methylethanamine (CID 43519080) is 1-[2-(2,5-difluorophenyl)sulfanyl-5-fluorophenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(2,5-difluorophenyl)sulfanyl-5-fluorophenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-(2,5-difluorophenyl)sulfanyl-5-fluorophenyl]-N-methylethanamine is CNC(C)c1cc(F)ccc1Sc1cc(F)ccc1F.
What is the InChIKey of 1-[2-(2,5-difluorophenyl)sulfanyl-5-fluorophenyl]-N-methylethanamine?
The InChIKey is ZXEVPIWFOSYOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NS/c1-9(19-2)12-7-10(16)4-6-14(12)20-15-8-11(17)3-5-13(15)18/h3-9,19H,1-2H3.
What are the key properties of 1-[2-(2,5-difluorophenyl)sulfanyl-5-fluorophenyl]-N-methylethanamine?
1-[2-(2,5-difluorophenyl)sulfanyl-5-fluorophenyl]-N-methylethanamine has a molecular weight of 297.35 g/mol, XLogP of 4.54, 4 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)sulfanyl-5-fluorophenyl]-N-methylethanamine is sourced from PubChem (CID 43519080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).