1-(5-chlorothiophen-3-yl)-N-[1-(2,6-difluorophenyl)ethyl]ethanamine

C14H14ClF2NS — CID 102976441

IUPAC1-(5-chlorothiophen-3-yl)-N-[1-(2,6-difluorophenyl)ethyl]ethanamine
SMILESCC(NC(C)c1c(F)cccc1F)c1csc(Cl)c1
InChIInChI=1S/C14H14ClF2NS/c1-8(10-6-13(15)19-7-10)18-9(2)14-11(16)4-3-5-12(14)17/h3-9,18H,1-2H3
InChIKeyJUBNBRKHKUDKKI-UHFFFAOYSA-N
MW301.79 g/mol
LogP5.09
Rot. Bonds4

About 1-(5-chlorothiophen-3-yl)-N-[1-(2,6-difluorophenyl)ethyl]ethanamine

1-(5-chlorothiophen-3-yl)-N-[1-(2,6-difluorophenyl)ethyl]ethanamine (PubChem CID 102976441) has the molecular formula C14H14ClF2NS and a molecular weight of 301.79 g/mol. Its IUPAC name is 1-(5-chlorothiophen-3-yl)-N-[1-(2,6-difluorophenyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-3-yl)-N-[1-(2,6-difluorophenyl)ethyl]ethanamine
PubChem CID102976441
Molecular FormulaC14H14ClF2NS
Molecular Weight301.79 g/mol
Exact Mass301.05
IUPAC Name1-(5-chlorothiophen-3-yl)-N-[1-(2,6-difluorophenyl)ethyl]ethanamine
SMILESCC(NC(C)c1c(F)cccc1F)c1csc(Cl)c1
InChIInChI=1S/C14H14ClF2NS/c1-8(10-6-13(15)19-7-10)18-9(2)14-11(16)4-3-5-12(14)17/h3-9,18H,1-2H3
InChIKeyJUBNBRKHKUDKKI-UHFFFAOYSA-N
XLogP5.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.79
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(5-chlorothiophen-3-yl)ethyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 102976328
N-[1-(5-chlorothiophen-3-yl)ethyl]-1-(4-methylphenyl)ethanamine
CID 102976436
N-[1-(5-chlorothiophen-3-yl)ethyl]-1-[3-(difluoromethoxy)phenyl]ethanamine
CID 102976414
N-[1-(2,6-difluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 43201964
(1R)-N-[1-(2,6-difluorophenyl)ethyl]-1-thiophen-2-ylethanamine
CID 81398184
N-[1-(5-chlorothiophen-3-yl)ethyl]-4-fluoroaniline
CID 102976781
(1S)-1-(2-chlorophenyl)-N-[1-(2,6-difluorophenyl)ethyl]ethanamine
CID 81377416
N-[1-(5-chlorothiophen-3-yl)ethyl]-1-cyclopropylethanamine
CID 102976313
2,6-dibromo-N-[1-(5-chlorothiophen-3-yl)ethyl]aniline
CID 114082819
N-[1-(5-chlorothiophen-3-yl)ethyl]-3,5-difluoroaniline
CID 114082630
N-[1-(5-chlorothiophen-3-yl)ethyl]-2-methylsulfanylaniline
CID 102976894
N-[1-(2,6-difluorophenyl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 60923909

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-3-yl)-N-[1-(2,6-difluorophenyl)ethyl]ethanamine?
The IUPAC name of 1-(5-chlorothiophen-3-yl)-N-[1-(2,6-difluorophenyl)ethyl]ethanamine (CID 102976441) is 1-(5-chlorothiophen-3-yl)-N-[1-(2,6-difluorophenyl)ethyl]ethanamine.
What is the SMILES notation for 1-(5-chlorothiophen-3-yl)-N-[1-(2,6-difluorophenyl)ethyl]ethanamine?
The canonical SMILES for 1-(5-chlorothiophen-3-yl)-N-[1-(2,6-difluorophenyl)ethyl]ethanamine is CC(NC(C)c1c(F)cccc1F)c1csc(Cl)c1.
What is the InChIKey of 1-(5-chlorothiophen-3-yl)-N-[1-(2,6-difluorophenyl)ethyl]ethanamine?
The InChIKey is JUBNBRKHKUDKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF2NS/c1-8(10-6-13(15)19-7-10)18-9(2)14-11(16)4-3-5-12(14)17/h3-9,18H,1-2H3.
What are the key properties of 1-(5-chlorothiophen-3-yl)-N-[1-(2,6-difluorophenyl)ethyl]ethanamine?
1-(5-chlorothiophen-3-yl)-N-[1-(2,6-difluorophenyl)ethyl]ethanamine has a molecular weight of 301.79 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-3-yl)-N-[1-(2,6-difluorophenyl)ethyl]ethanamine is sourced from PubChem (CID 102976441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).