N-ethyl-1-[5-[2-(trifluoromethyl)phenyl]thiophen-2-yl]ethanamine

C15H16F3NS — CID 43287447

IUPACN-ethyl-1-[5-[2-(trifluoromethyl)phenyl]thiophen-2-yl]ethanamine
SMILESCCNC(C)c1ccc(-c2ccccc2C(F)(F)F)s1
InChIInChI=1S/C15H16F3NS/c1-3-19-10(2)13-8-9-14(20-13)11-6-4-5-7-12(11)15(16,17)18/h4-10,19H,3H2,1-2H3
InChIKeyGVVNTRZKJQDVCB-UHFFFAOYSA-N
MW299.36 g/mol
LogP5.10
Rot. Bonds4

About N-ethyl-1-[5-[2-(trifluoromethyl)phenyl]thiophen-2-yl]ethanamine

N-ethyl-1-[5-[2-(trifluoromethyl)phenyl]thiophen-2-yl]ethanamine (PubChem CID 43287447) has the molecular formula C15H16F3NS and a molecular weight of 299.36 g/mol. Its IUPAC name is N-ethyl-1-[5-[2-(trifluoromethyl)phenyl]thiophen-2-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[5-[2-(trifluoromethyl)phenyl]thiophen-2-yl]ethanamine
PubChem CID43287447
Molecular FormulaC15H16F3NS
Molecular Weight299.36 g/mol
Exact Mass299.10
IUPAC NameN-ethyl-1-[5-[2-(trifluoromethyl)phenyl]thiophen-2-yl]ethanamine
SMILESCCNC(C)c1ccc(-c2ccccc2C(F)(F)F)s1
InChIInChI=1S/C15H16F3NS/c1-3-19-10(2)13-8-9-14(20-13)11-6-4-5-7-12(11)15(16,17)18/h4-10,19H,3H2,1-2H3
InChIKeyGVVNTRZKJQDVCB-UHFFFAOYSA-N
XLogP5.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.36
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[5-(2-propan-2-ylphenyl)thiophen-2-yl]ethyl]propan-1-amine
CID 43287695
N-ethyl-1-[5-(5-fluoro-2-methylphenyl)thiophen-2-yl]ethanamine
CID 43287860
1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-ethylethanamine
CID 43287935
N-ethyl-1-[2-[4-(trifluoromethyl)-3-pyridinyl]phenyl]ethanamine
CID 102708716
5-[2-(trifluoromethyl)phenyl]thiophen-2-amine
CID 66521266
N-ethyl-1-[5-(2,4,6-trichlorophenyl)thiophen-2-yl]ethanamine
CID 43288121
N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 24705103
N-ethyl-1-[5-(3-fluoro-5-methylphenyl)thiophen-2-yl]ethanamine
CID 79049374
1-(2-tert-butylphenyl)-N-ethylethanamine
CID 115765369
1-[5-(2,3-difluorophenyl)thiophen-2-yl]-N-ethyl-2-methylpropan-1-amine
CID 63400861
N-ethyl-2-[2-(trifluoromethyl)phenyl]pentan-3-amine
CID 63561717
(2S)-N-ethyl-1-[2-(trifluoromethyl)phenyl]propan-2-amine
CID 95029864

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-[2-(trifluoromethyl)phenyl]thiophen-2-yl]ethanamine?
The IUPAC name of N-ethyl-1-[5-[2-(trifluoromethyl)phenyl]thiophen-2-yl]ethanamine (CID 43287447) is N-ethyl-1-[5-[2-(trifluoromethyl)phenyl]thiophen-2-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[5-[2-(trifluoromethyl)phenyl]thiophen-2-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[5-[2-(trifluoromethyl)phenyl]thiophen-2-yl]ethanamine is CCNC(C)c1ccc(-c2ccccc2C(F)(F)F)s1.
What is the InChIKey of N-ethyl-1-[5-[2-(trifluoromethyl)phenyl]thiophen-2-yl]ethanamine?
The InChIKey is GVVNTRZKJQDVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NS/c1-3-19-10(2)13-8-9-14(20-13)11-6-4-5-7-12(11)15(16,17)18/h4-10,19H,3H2,1-2H3.
What are the key properties of N-ethyl-1-[5-[2-(trifluoromethyl)phenyl]thiophen-2-yl]ethanamine?
N-ethyl-1-[5-[2-(trifluoromethyl)phenyl]thiophen-2-yl]ethanamine has a molecular weight of 299.36 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[5-[2-(trifluoromethyl)phenyl]thiophen-2-yl]ethanamine is sourced from PubChem (CID 43287447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).