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

C14H13ClF3NOS — CID 43432636

IUPAC1-(5-chlorothiophen-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
SMILESCC(NCc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)s1
InChIInChI=1S/C14H13ClF3NOS/c1-9(12-6-7-13(15)21-12)19-8-10-2-4-11(5-3-10)20-14(16,17)18/h2-7,9,19H,8H2,1H3
InChIKeyGKVLVEHYRCZXIM-UHFFFAOYSA-N
MW335.78 g/mol
LogP5.15
Rot. Bonds5

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

1-(5-chlorothiophen-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine (PubChem CID 43432636) has the molecular formula C14H13ClF3NOS and a molecular weight of 335.78 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
PubChem CID43432636
Molecular FormulaC14H13ClF3NOS
Molecular Weight335.78 g/mol
Exact Mass335.04
IUPAC Name1-(5-chlorothiophen-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
SMILESCC(NCc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)s1
InChIInChI=1S/C14H13ClF3NOS/c1-9(12-6-7-13(15)21-12)19-8-10-2-4-11(5-3-10)20-14(16,17)18/h2-7,9,19H,8H2,1H3
InChIKeyGKVLVEHYRCZXIM-UHFFFAOYSA-N
XLogP5.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.78
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine (CID 43432636) is 1-(5-chlorothiophen-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine is CC(NCc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine?
The InChIKey is GKVLVEHYRCZXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF3NOS/c1-9(12-6-7-13(15)21-12)19-8-10-2-4-11(5-3-10)20-14(16,17)18/h2-7,9,19H,8H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine?
1-(5-chlorothiophen-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine has a molecular weight of 335.78 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 43432636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).