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

C14H13ClF3NS — CID 43432586

IUPAC1-(5-chlorothiophen-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCC(NCc1ccccc1C(F)(F)F)c1ccc(Cl)s1
InChIInChI=1S/C14H13ClF3NS/c1-9(12-6-7-13(15)20-12)19-8-10-4-2-3-5-11(10)14(16,17)18/h2-7,9,19H,8H2,1H3
InChIKeyOTNHUYKDNLFBCW-UHFFFAOYSA-N
MW319.78 g/mol
LogP5.27
Rot. Bonds4

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

1-(5-chlorothiophen-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine (PubChem CID 43432586) has the molecular formula C14H13ClF3NS and a molecular weight of 319.78 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
PubChem CID43432586
Molecular FormulaC14H13ClF3NS
Molecular Weight319.78 g/mol
Exact Mass319.04
IUPAC Name1-(5-chlorothiophen-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCC(NCc1ccccc1C(F)(F)F)c1ccc(Cl)s1
InChIInChI=1S/C14H13ClF3NS/c1-9(12-6-7-13(15)20-12)19-8-10-4-2-3-5-11(10)14(16,17)18/h2-7,9,19H,8H2,1H3
InChIKeyOTNHUYKDNLFBCW-UHFFFAOYSA-N
XLogP5.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.78
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine (CID 43432586) is 1-(5-chlorothiophen-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine is CC(NCc1ccccc1C(F)(F)F)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine?
The InChIKey is OTNHUYKDNLFBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF3NS/c1-9(12-6-7-13(15)20-12)19-8-10-4-2-3-5-11(10)14(16,17)18/h2-7,9,19H,8H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine?
1-(5-chlorothiophen-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine has a molecular weight of 319.78 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 43432586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).