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

C15H17F2NS — CID 105412321

IUPAC2-(3,5-difluorophenyl)-1-(4,5-dimethylthiophen-2-yl)-N-methylethanamine
SMILESCNC(Cc1cc(F)cc(F)c1)c1cc(C)c(C)s1
InChIInChI=1S/C15H17F2NS/c1-9-4-15(19-10(9)2)14(18-3)7-11-5-12(16)8-13(17)6-11/h4-6,8,14,18H,7H2,1-3H3
InChIKeyZUMZFQHHBQULAC-UHFFFAOYSA-N
MW281.37 g/mol
LogP4.15
Rot. Bonds4

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

2-(3,5-difluorophenyl)-1-(4,5-dimethylthiophen-2-yl)-N-methylethanamine (PubChem CID 105412321) has the molecular formula C15H17F2NS and a molecular weight of 281.37 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-1-(4,5-dimethylthiophen-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-1-(4,5-dimethylthiophen-2-yl)-N-methylethanamine
PubChem CID105412321
Molecular FormulaC15H17F2NS
Molecular Weight281.37 g/mol
Exact Mass281.10
IUPAC Name2-(3,5-difluorophenyl)-1-(4,5-dimethylthiophen-2-yl)-N-methylethanamine
SMILESCNC(Cc1cc(F)cc(F)c1)c1cc(C)c(C)s1
InChIInChI=1S/C15H17F2NS/c1-9-4-15(19-10(9)2)14(18-3)7-11-5-12(16)8-13(17)6-11/h4-6,8,14,18H,7H2,1-3H3
InChIKeyZUMZFQHHBQULAC-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-(4,5-dimethylthiophen-2-yl)-N-methyl-2-phenylethanamine
CID 65238920
1-(4,5-dimethylthiophen-2-yl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 105051066
N-[2-(3-bromo-5-fluorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethyl]propan-1-amine
CID 105015390
2-(3,5-difluorophenyl)-N-methyl-1-(1,3-thiazol-5-yl)ethanamine
CID 105406726
2-(5-chlorothiophen-2-yl)-1-(4,5-dimethylthiophen-2-yl)-N-methylethanamine
CID 115841555
2-(3,5-difluorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylethanamine
CID 106881394
1-(4,5-dimethylthiophen-2-yl)-N,3-dimethylpentan-1-amine
CID 115846218
1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
CID 65237793
2-(2-chloro-4-methylphenyl)-1-(4,5-dimethylthiophen-2-yl)-N-methylethanamine
CID 106865957
2-(3,5-difluorophenyl)-N-methyl-1-(3-methylfuran-2-yl)ethanamine
CID 105406977
1-(4-bromo-5-methylthiophen-2-yl)-2-(3,4-difluorophenyl)-N-methylethanamine
CID 102827313
1-(4,5-dimethylthiophen-2-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025411

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-1-(4,5-dimethylthiophen-2-yl)-N-methylethanamine?
The IUPAC name of 2-(3,5-difluorophenyl)-1-(4,5-dimethylthiophen-2-yl)-N-methylethanamine (CID 105412321) is 2-(3,5-difluorophenyl)-1-(4,5-dimethylthiophen-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(3,5-difluorophenyl)-1-(4,5-dimethylthiophen-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(3,5-difluorophenyl)-1-(4,5-dimethylthiophen-2-yl)-N-methylethanamine is CNC(Cc1cc(F)cc(F)c1)c1cc(C)c(C)s1.
What is the InChIKey of 2-(3,5-difluorophenyl)-1-(4,5-dimethylthiophen-2-yl)-N-methylethanamine?
The InChIKey is ZUMZFQHHBQULAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NS/c1-9-4-15(19-10(9)2)14(18-3)7-11-5-12(16)8-13(17)6-11/h4-6,8,14,18H,7H2,1-3H3.
What are the key properties of 2-(3,5-difluorophenyl)-1-(4,5-dimethylthiophen-2-yl)-N-methylethanamine?
2-(3,5-difluorophenyl)-1-(4,5-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-(3,5-difluorophenyl)-1-(4,5-dimethylthiophen-2-yl)-N-methylethanamine is sourced from PubChem (CID 105412321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).