1-(3-bromothiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine

C13H11BrF3NS — CID 63798119

IUPAC1-(3-bromothiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
SMILESNC(Cc1ccc(C(F)(F)F)cc1)c1sccc1Br
InChIInChI=1S/C13H11BrF3NS/c14-10-5-6-19-12(10)11(18)7-8-1-3-9(4-2-8)13(15,16)17/h1-6,11H,7,18H2
InChIKeyYUVGAUZCTQUJEN-UHFFFAOYSA-N
MW350.20 g/mol
LogP4.77
Rot. Bonds3

About 1-(3-bromothiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine

1-(3-bromothiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine (PubChem CID 63798119) has the molecular formula C13H11BrF3NS and a molecular weight of 350.20 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
PubChem CID63798119
Molecular FormulaC13H11BrF3NS
Molecular Weight350.20 g/mol
Exact Mass348.97
IUPAC Name1-(3-bromothiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
SMILESNC(Cc1ccc(C(F)(F)F)cc1)c1sccc1Br
InChIInChI=1S/C13H11BrF3NS/c14-10-5-6-19-12(10)11(18)7-8-1-3-9(4-2-8)13(15,16)17/h1-6,11H,7,18H2
InChIKeyYUVGAUZCTQUJEN-UHFFFAOYSA-N
XLogP4.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.20
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromothiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine (CID 63798119) is 1-(3-bromothiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine is NC(Cc1ccc(C(F)(F)F)cc1)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is YUVGAUZCTQUJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF3NS/c14-10-5-6-19-12(10)11(18)7-8-1-3-9(4-2-8)13(15,16)17/h1-6,11H,7,18H2.
What are the key properties of 1-(3-bromothiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine?
1-(3-bromothiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 350.20 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 63798119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).