N-[1-(4-bromothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine

C11H15BrF3NOS — CID 103215814

IUPACN-[1-(4-bromothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
SMILESCCCNC(COCC(F)(F)F)c1cscc1Br
InChIInChI=1S/C11H15BrF3NOS/c1-2-3-16-10(4-17-7-11(13,14)15)8-5-18-6-9(8)12/h5-6,10,16H,2-4,7H2,1H3
InChIKeyODZMJLCVVGWFPH-UHFFFAOYSA-N
MW346.21 g/mol
LogP4.13
Rot. Bonds7

About N-[1-(4-bromothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine

N-[1-(4-bromothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine (PubChem CID 103215814) has the molecular formula C11H15BrF3NOS and a molecular weight of 346.21 g/mol. Its IUPAC name is N-[1-(4-bromothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-bromothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
PubChem CID103215814
Molecular FormulaC11H15BrF3NOS
Molecular Weight346.21 g/mol
Exact Mass345.00
IUPAC NameN-[1-(4-bromothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
SMILESCCCNC(COCC(F)(F)F)c1cscc1Br
InChIInChI=1S/C11H15BrF3NOS/c1-2-3-16-10(4-17-7-11(13,14)15)8-5-18-6-9(8)12/h5-6,10,16H,2-4,7H2,1H3
InChIKeyODZMJLCVVGWFPH-UHFFFAOYSA-N
XLogP4.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.21
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(4-bromothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-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

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
The IUPAC name of N-[1-(4-bromothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine (CID 103215814) is N-[1-(4-bromothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-bromothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-bromothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine is CCCNC(COCC(F)(F)F)c1cscc1Br.
What is the InChIKey of N-[1-(4-bromothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
The InChIKey is ODZMJLCVVGWFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrF3NOS/c1-2-3-16-10(4-17-7-11(13,14)15)8-5-18-6-9(8)12/h5-6,10,16H,2-4,7H2,1H3.
What are the key properties of N-[1-(4-bromothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
N-[1-(4-bromothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine has a molecular weight of 346.21 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine is sourced from PubChem (CID 103215814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).