1-(2,5-difluorophenyl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine

C15H14F3NS — CID 66072696

IUPAC1-(2,5-difluorophenyl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine
SMILESCNC(CSc1cccc(F)c1)c1cc(F)ccc1F
InChIInChI=1S/C15H14F3NS/c1-19-15(13-8-11(17)5-6-14(13)18)9-20-12-4-2-3-10(16)7-12/h2-8,15,19H,9H2,1H3
InChIKeyLSXHYYJVDSYZTL-UHFFFAOYSA-N
MW297.35 g/mol
LogP4.16
Rot. Bonds5

About 1-(2,5-difluorophenyl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine

1-(2,5-difluorophenyl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine (PubChem CID 66072696) has the molecular formula C15H14F3NS and a molecular weight of 297.35 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine
PubChem CID66072696
Molecular FormulaC15H14F3NS
Molecular Weight297.35 g/mol
Exact Mass297.08
IUPAC Name1-(2,5-difluorophenyl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine
SMILESCNC(CSc1cccc(F)c1)c1cc(F)ccc1F
InChIInChI=1S/C15H14F3NS/c1-19-15(13-8-11(17)5-6-14(13)18)9-20-12-4-2-3-10(16)7-12/h2-8,15,19H,9H2,1H3
InChIKeyLSXHYYJVDSYZTL-UHFFFAOYSA-N
XLogP4.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)sulfanyl-1-(2,5-difluorophenyl)-N-methylethanamine
CID 66159611
1-(3-fluorophenyl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine
CID 66072488
1-(2,5-difluorophenyl)-2-(3-fluorophenyl)sulfanylethanol
CID 66072891
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-phenylsulfanylethanamine
CID 82770137
1-(3,4-dichlorophenyl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine
CID 66071458
1-(4-fluoro-2-methylphenyl)-N-methyl-2-phenylsulfanylethanamine
CID 65143326
1-(2,4-difluorophenyl)-N-methyl-2-(4-methylphenyl)sulfanylethanamine
CID 66066186
1-(2,5-difluorophenyl)-N,3-dimethylbutan-1-amine
CID 43482933
1-(2-ethylpyrazol-3-yl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine
CID 66071865
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(4-methylphenyl)sulfanylethanamine
CID 82771709
1-(2,5-difluorophenyl)-N,3-dimethylbut-3-en-1-amine
CID 79184848
1-(4-chloro-1-methylpyrazol-5-yl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine
CID 114656071

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine?
The IUPAC name of 1-(2,5-difluorophenyl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine (CID 66072696) is 1-(2,5-difluorophenyl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine is CNC(CSc1cccc(F)c1)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine?
The InChIKey is LSXHYYJVDSYZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NS/c1-19-15(13-8-11(17)5-6-14(13)18)9-20-12-4-2-3-10(16)7-12/h2-8,15,19H,9H2,1H3.
What are the key properties of 1-(2,5-difluorophenyl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine?
1-(2,5-difluorophenyl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine has a molecular weight of 297.35 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine is sourced from PubChem (CID 66072696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).