2-(2,4-difluorophenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylethanamine

C15H17F2NS — CID 81157269

IUPAC2-(2,4-difluorophenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)cc1F)c1sc(C)cc1C
InChIInChI=1S/C15H17F2NS/c1-9-6-10(2)19-15(9)14(18-3)7-11-4-5-12(16)8-13(11)17/h4-6,8,14,18H,7H2,1-3H3
InChIKeyYGUSRCVISNUQFT-UHFFFAOYSA-N
MW281.37 g/mol
LogP4.15
Rot. Bonds4

About 2-(2,4-difluorophenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylethanamine

2-(2,4-difluorophenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylethanamine (PubChem CID 81157269) has the molecular formula C15H17F2NS and a molecular weight of 281.37 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylethanamine
PubChem CID81157269
Molecular FormulaC15H17F2NS
Molecular Weight281.37 g/mol
Exact Mass281.10
IUPAC Name2-(2,4-difluorophenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)cc1F)c1sc(C)cc1C
InChIInChI=1S/C15H17F2NS/c1-9-6-10(2)19-15(9)14(18-3)7-11-4-5-12(16)8-13(11)17/h4-6,8,14,18H,7H2,1-3H3
InChIKeyYGUSRCVISNUQFT-UHFFFAOYSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluoro-3-methylphenyl)-2-(2,4-difluorophenyl)-N-methylethanamine
CID 82798424
2-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)-N-methylethanamine
CID 64561397
1-(5-bromo-4-chlorothiophen-2-yl)-2-(2,4-difluorophenyl)-N-methylethanamine
CID 80531040
1-(4-chloro-2-fluorophenyl)-2-(2,4-difluorophenyl)-N-methylethanamine
CID 63081771
1-(4,5-dimethylthiophen-2-yl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 105051066
2-(2-bromo-4-fluorophenyl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
CID 115843279
3-(2,4-difluorophenyl)-1,1-difluoro-N-methylpropan-2-amine
CID 103759864
2-(2,4-difluorophenyl)-N-ethyl-1-(5-fluoro-2-methylphenyl)ethanamine
CID 62388925
1-(4-fluoro-2-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 55116050
2-(2,4-difluorophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 81288701
1-(2,3-dichlorophenyl)-2-(2,4-difluorophenyl)-N-methylethanamine
CID 64560819
2-(4-bromo-2-fluorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine
CID 115844618

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylethanamine?
The IUPAC name of 2-(2,4-difluorophenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylethanamine (CID 81157269) is 2-(2,4-difluorophenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(2,4-difluorophenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylethanamine is CNC(Cc1ccc(F)cc1F)c1sc(C)cc1C.
What is the InChIKey of 2-(2,4-difluorophenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylethanamine?
The InChIKey is YGUSRCVISNUQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NS/c1-9-6-10(2)19-15(9)14(18-3)7-11-4-5-12(16)8-13(11)17/h4-6,8,14,18H,7H2,1-3H3.
What are the key properties of 2-(2,4-difluorophenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylethanamine?
2-(2,4-difluorophenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylethanamine has a molecular weight of 281.37 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylethanamine is sourced from PubChem (CID 81157269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).