N-ethyl-2-thiophen-3-yl-1-[3-(trifluoromethyl)phenyl]ethanamine

C15H16F3NS — CID 61078735

IUPACN-ethyl-2-thiophen-3-yl-1-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCCNC(Cc1ccsc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H16F3NS/c1-2-19-14(8-11-6-7-20-10-11)12-4-3-5-13(9-12)15(16,17)18/h3-7,9-10,14,19H,2,8H2,1H3
InChIKeyMEJDDTKKMVBMRH-UHFFFAOYSA-N
MW299.36 g/mol
LogP4.66
Rot. Bonds5

About N-ethyl-2-thiophen-3-yl-1-[3-(trifluoromethyl)phenyl]ethanamine

N-ethyl-2-thiophen-3-yl-1-[3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 61078735) has the molecular formula C15H16F3NS and a molecular weight of 299.36 g/mol. Its IUPAC name is N-ethyl-2-thiophen-3-yl-1-[3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-thiophen-3-yl-1-[3-(trifluoromethyl)phenyl]ethanamine
PubChem CID61078735
Molecular FormulaC15H16F3NS
Molecular Weight299.36 g/mol
Exact Mass299.10
IUPAC NameN-ethyl-2-thiophen-3-yl-1-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCCNC(Cc1ccsc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H16F3NS/c1-2-19-14(8-11-6-7-20-10-11)12-4-3-5-13(9-12)15(16,17)18/h3-7,9-10,14,19H,2,8H2,1H3
InChIKeyMEJDDTKKMVBMRH-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(3-fluorophenyl)-2-thiophen-3-ylethanamine
CID 61078915
N-ethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-2-thiophen-3-ylethanamine
CID 102757512
N-ethyl-1-(5-methylfuran-3-yl)-2-thiophen-3-ylethanamine
CID 114821235
N-[1-(3-fluorophenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 61078925
N,3-diethyl-1-[3-(trifluoromethyl)phenyl]pentan-1-amine
CID 82920537
N-ethyl-2-propan-2-ylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64633057
N-ethyl-1-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 62602438
1-(3-chloro-4-methylphenyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 55162373
N-ethyl-1-(4-iodophenyl)-2-thiophen-3-ylethanamine
CID 61078389
1-(3,5-dimethoxyphenyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 61078732
1-(6-bromonaphthalen-2-yl)-N-ethyl-2-thiophen-3-ylethanamine
CID 115354103
4-[1-(ethylamino)-2-thiophen-3-ylethyl]-N,N-dimethylaniline
CID 105137654

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-thiophen-3-yl-1-[3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of N-ethyl-2-thiophen-3-yl-1-[3-(trifluoromethyl)phenyl]ethanamine (CID 61078735) is N-ethyl-2-thiophen-3-yl-1-[3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-2-thiophen-3-yl-1-[3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for N-ethyl-2-thiophen-3-yl-1-[3-(trifluoromethyl)phenyl]ethanamine is CCNC(Cc1ccsc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-ethyl-2-thiophen-3-yl-1-[3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is MEJDDTKKMVBMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NS/c1-2-19-14(8-11-6-7-20-10-11)12-4-3-5-13(9-12)15(16,17)18/h3-7,9-10,14,19H,2,8H2,1H3.
What are the key properties of N-ethyl-2-thiophen-3-yl-1-[3-(trifluoromethyl)phenyl]ethanamine?
N-ethyl-2-thiophen-3-yl-1-[3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 299.36 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-thiophen-3-yl-1-[3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 61078735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).