1-(5-bromo-2-methylthiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine

C9H11BrF3NOS — CID 103207672

IUPAC1-(5-bromo-2-methylthiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCc1sc(Br)cc1C(N)COCC(F)(F)F
InChIInChI=1S/C9H11BrF3NOS/c1-5-6(2-8(10)16-5)7(14)3-15-4-9(11,12)13/h2,7H,3-4,14H2,1H3
InChIKeyRCBOBMBAOJFFDX-UHFFFAOYSA-N
MW318.16 g/mol
LogP3.40
Rot. Bonds4

About 1-(5-bromo-2-methylthiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine

1-(5-bromo-2-methylthiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103207672) has the molecular formula C9H11BrF3NOS and a molecular weight of 318.16 g/mol. Its IUPAC name is 1-(5-bromo-2-methylthiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-methylthiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103207672
Molecular FormulaC9H11BrF3NOS
Molecular Weight318.16 g/mol
Exact Mass316.97
IUPAC Name1-(5-bromo-2-methylthiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCc1sc(Br)cc1C(N)COCC(F)(F)F
InChIInChI=1S/C9H11BrF3NOS/c1-5-6(2-8(10)16-5)7(14)3-15-4-9(11,12)13/h2,7H,3-4,14H2,1H3
InChIKeyRCBOBMBAOJFFDX-UHFFFAOYSA-N
XLogP3.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-bromo-2-methylthiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine 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-(2-bromo-4,5-dimethoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207094
1-(5-bromo-2-methoxy-4-methylphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207664
(5-bromo-2-methylthiophen-3-yl)-(2,5-dibromothiophen-3-yl)methanamine
CID 107961099
1-(2,5-dimethoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 16790008
1-(5-bromo-2-methylthiophen-3-yl)-2-cyclobutylethanamine
CID 103163188
1-(2,3,5,6-tetramethylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103207056
1-(4-bromo-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103216484
1-[4-bromo-2-(trifluoromethyl)phenyl]-2-ethoxyethanamine
CID 79574373
1-(5-bromo-2-methylthiophen-3-yl)-2-propylpentan-1-amine
CID 82984366
1-(2,5-dimethylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103147960
1-(5-bromothiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol
CID 103216730
1-(4-butan-2-ylphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207062

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylthiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-(5-bromo-2-methylthiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103207672) is 1-(5-bromo-2-methylthiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-(5-bromo-2-methylthiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-(5-bromo-2-methylthiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine is Cc1sc(Br)cc1C(N)COCC(F)(F)F.
What is the InChIKey of 1-(5-bromo-2-methylthiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is RCBOBMBAOJFFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrF3NOS/c1-5-6(2-8(10)16-5)7(14)3-15-4-9(11,12)13/h2,7H,3-4,14H2,1H3.
What are the key properties of 1-(5-bromo-2-methylthiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
1-(5-bromo-2-methylthiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 318.16 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylthiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103207672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).