1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine

C11H15BrF3NS — CID 79992190

IUPAC1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine
SMILESCCNC(CCC(F)(F)F)c1cc(C)c(Br)s1
InChIInChI=1S/C11H15BrF3NS/c1-3-16-8(4-5-11(13,14)15)9-6-7(2)10(12)17-9/h6,8,16H,3-5H2,1-2H3
InChIKeyGNJJBSCDWQPVEH-UHFFFAOYSA-N
MW330.21 g/mol
LogP4.81
Rot. Bonds5

About 1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine

1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine (PubChem CID 79992190) has the molecular formula C11H15BrF3NS and a molecular weight of 330.21 g/mol. Its IUPAC name is 1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine
PubChem CID79992190
Molecular FormulaC11H15BrF3NS
Molecular Weight330.21 g/mol
Exact Mass329.01
IUPAC Name1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine
SMILESCCNC(CCC(F)(F)F)c1cc(C)c(Br)s1
InChIInChI=1S/C11H15BrF3NS/c1-3-16-8(4-5-11(13,14)15)9-6-7(2)10(12)17-9/h6,8,16H,3-5H2,1-2H3
InChIKeyGNJJBSCDWQPVEH-UHFFFAOYSA-N
XLogP4.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-4,4-dimethylpentan-1-amine
CID 115849742
[1-(5-bromo-4-methylthiophen-2-yl)-4,4,4-trifluorobutyl]hydrazine
CID 105313942
1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103031765
2-bromo-5-(1-bromo-4,4,4-trifluorobutyl)-3-methylthiophene
CID 79991805
1-(5-bromo-4-methylthiophen-2-yl)-N-propylbutan-1-amine
CID 79991988
1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine
CID 79991335
[1-(5-bromo-4-methylthiophen-2-yl)-4,4-dimethylpentyl]hydrazine
CID 105300069
1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 79990812
1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 79990464
1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-2-(4-iodophenyl)ethanamine
CID 115863981
N-ethyl-4,4,4-trifluoro-1-(5-fluoro-1-benzothiophen-2-yl)butan-1-amine
CID 105156465
1-(4,5-dibromothiophen-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105023820

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine?
The IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine (CID 79992190) is 1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for 1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for 1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine is CCNC(CCC(F)(F)F)c1cc(C)c(Br)s1.
What is the InChIKey of 1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine?
The InChIKey is GNJJBSCDWQPVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrF3NS/c1-3-16-8(4-5-11(13,14)15)9-6-7(2)10(12)17-9/h6,8,16H,3-5H2,1-2H3.
What are the key properties of 1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine?
1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine has a molecular weight of 330.21 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 79992190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).