2-(5-chlorothiophen-2-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]ethanamine

C14H13ClF3NS — CID 115841423

IUPAC2-(5-chlorothiophen-2-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCNC(Cc1ccc(Cl)s1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H13ClF3NS/c1-19-12(8-11-6-7-13(15)20-11)9-2-4-10(5-3-9)14(16,17)18/h2-7,12,19H,8H2,1H3
InChIKeyJTLFAJZWSUPNOY-UHFFFAOYSA-N
MW319.78 g/mol
LogP4.92
Rot. Bonds4

About 2-(5-chlorothiophen-2-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]ethanamine

2-(5-chlorothiophen-2-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]ethanamine (PubChem CID 115841423) has the molecular formula C14H13ClF3NS and a molecular weight of 319.78 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]ethanamine
PubChem CID115841423
Molecular FormulaC14H13ClF3NS
Molecular Weight319.78 g/mol
Exact Mass319.04
IUPAC Name2-(5-chlorothiophen-2-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCNC(Cc1ccc(Cl)s1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H13ClF3NS/c1-19-12(8-11-6-7-13(15)20-11)9-2-4-10(5-3-9)14(16,17)18/h2-7,12,19H,8H2,1H3
InChIKeyJTLFAJZWSUPNOY-UHFFFAOYSA-N
XLogP4.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.78
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chlorothiophen-2-yl)-1-(4-ethoxyphenyl)-N-methylethanamine
CID 115841626
N-methyl-2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 105030333
1-(4-tert-butylphenyl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 115842628
2-(5-chlorothiophen-2-yl)-N-methyl-1-(3-methylphenyl)ethanamine
CID 55095022
1-(5-chloro-2-fluorophenyl)-2-(5-chlorothiophen-2-yl)-N-methylethanamine
CID 114886081
1-(5-bromofuran-2-yl)-2-(5-chlorothiophen-2-yl)-N-methylethanamine
CID 115841556
2-(5-chlorothiophen-2-yl)-1-(4,5-dimethylthiophen-2-yl)-N-methylethanamine
CID 115841555
2-(5-chlorothiophen-2-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine
CID 104789911
2-(5-chlorothiophen-2-yl)-1-(2-fluoro-4-methylphenyl)-N-methylethanamine
CID 115841386
N-[2-(5-chlorothiophen-2-yl)-1-(4-methylphenyl)ethyl]propan-1-amine
CID 63412241
N-methyl-2-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 62789836
N-methyl-1-[4-(trifluoromethyl)phenyl]pent-3-yn-1-amine
CID 115819277

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]ethanamine (CID 115841423) is 2-(5-chlorothiophen-2-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]ethanamine is CNC(Cc1ccc(Cl)s1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is JTLFAJZWSUPNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF3NS/c1-19-12(8-11-6-7-13(15)20-11)9-2-4-10(5-3-9)14(16,17)18/h2-7,12,19H,8H2,1H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]ethanamine?
2-(5-chlorothiophen-2-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 319.78 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 115841423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).