1-(5-bromo-4-chlorothiophen-2-yl)-2-(2,3-difluorophenyl)ethanamine

C12H9BrClF2NS — CID 80530725

IUPAC1-(5-bromo-4-chlorothiophen-2-yl)-2-(2,3-difluorophenyl)ethanamine
SMILESNC(Cc1cccc(F)c1F)c1cc(Cl)c(Br)s1
InChIInChI=1S/C12H9BrClF2NS/c13-12-7(14)5-10(18-12)9(17)4-6-2-1-3-8(15)11(6)16/h1-3,5,9H,4,17H2
InChIKeyRDSQJPHJQMIVRR-UHFFFAOYSA-N
MW352.63 g/mol
LogP4.68
Rot. Bonds3

About 1-(5-bromo-4-chlorothiophen-2-yl)-2-(2,3-difluorophenyl)ethanamine

1-(5-bromo-4-chlorothiophen-2-yl)-2-(2,3-difluorophenyl)ethanamine (PubChem CID 80530725) has the molecular formula C12H9BrClF2NS and a molecular weight of 352.63 g/mol. Its IUPAC name is 1-(5-bromo-4-chlorothiophen-2-yl)-2-(2,3-difluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(5-bromo-4-chlorothiophen-2-yl)-2-(2,3-difluorophenyl)ethanamine
PubChem CID80530725
Molecular FormulaC12H9BrClF2NS
Molecular Weight352.63 g/mol
Exact Mass350.93
IUPAC Name1-(5-bromo-4-chlorothiophen-2-yl)-2-(2,3-difluorophenyl)ethanamine
SMILESNC(Cc1cccc(F)c1F)c1cc(Cl)c(Br)s1
InChIInChI=1S/C12H9BrClF2NS/c13-12-7(14)5-10(18-12)9(17)4-6-2-1-3-8(15)11(6)16/h1-3,5,9H,4,17H2
InChIKeyRDSQJPHJQMIVRR-UHFFFAOYSA-N
XLogP4.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.63
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(5-bromo-4-chlorothiophen-2-yl)-2-(2,3-difluorophenyl)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-(5-bromo-4-chlorothiophen-2-yl)-2-(2,3-difluorophenyl)ethanol
CID 80532007
1-(5-bromo-4-chlorothiophen-2-yl)-2-(2,3-difluorophenyl)-N-ethylethanamine
CID 80531238
1-(5-bromothiophen-3-yl)-2-(2,3-difluorophenyl)ethanamine
CID 105137743
2,3-dibromo-5-[1-chloro-2-(2,3-difluorophenyl)ethyl]thiophene
CID 80534257
1-(4,5-dibromothiophen-2-yl)-2-(2,3-dichlorophenyl)ethanamine
CID 107312305
1-(4-chloro-3-fluorophenyl)-2-(2,3-difluorophenyl)ethanamine
CID 107988898
1-(5-bromo-4-chlorothiophen-2-yl)-2-(4-bromophenyl)ethanamine
CID 80530877
2,3-dibromo-5-[1-bromo-2-(2,3-difluorophenyl)ethyl]thiophene
CID 80534309
2-(2,3-difluorophenyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 114031185
1-(2-chloro-3-fluorophenyl)-2-(3-chloro-2-fluorophenyl)ethanamine
CID 102866438
1-(5-bromo-4-chlorothiophen-2-yl)-2-(2,6-difluorophenyl)-N-methylethanamine
CID 80530733
1-(2,3-dichlorophenyl)-3-(2,3-difluorophenyl)propan-2-amine
CID 107311717

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-chlorothiophen-2-yl)-2-(2,3-difluorophenyl)ethanamine?
The IUPAC name of 1-(5-bromo-4-chlorothiophen-2-yl)-2-(2,3-difluorophenyl)ethanamine (CID 80530725) is 1-(5-bromo-4-chlorothiophen-2-yl)-2-(2,3-difluorophenyl)ethanamine.
What is the SMILES notation for 1-(5-bromo-4-chlorothiophen-2-yl)-2-(2,3-difluorophenyl)ethanamine?
The canonical SMILES for 1-(5-bromo-4-chlorothiophen-2-yl)-2-(2,3-difluorophenyl)ethanamine is NC(Cc1cccc(F)c1F)c1cc(Cl)c(Br)s1.
What is the InChIKey of 1-(5-bromo-4-chlorothiophen-2-yl)-2-(2,3-difluorophenyl)ethanamine?
The InChIKey is RDSQJPHJQMIVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClF2NS/c13-12-7(14)5-10(18-12)9(17)4-6-2-1-3-8(15)11(6)16/h1-3,5,9H,4,17H2.
What are the key properties of 1-(5-bromo-4-chlorothiophen-2-yl)-2-(2,3-difluorophenyl)ethanamine?
1-(5-bromo-4-chlorothiophen-2-yl)-2-(2,3-difluorophenyl)ethanamine has a molecular weight of 352.63 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-chlorothiophen-2-yl)-2-(2,3-difluorophenyl)ethanamine is sourced from PubChem (CID 80530725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).