1-(5-bromothiophen-3-yl)-2-(2,3-difluorophenyl)ethanamine

C12H10BrF2NS — CID 105137743

IUPAC1-(5-bromothiophen-3-yl)-2-(2,3-difluorophenyl)ethanamine
SMILESNC(Cc1cccc(F)c1F)c1csc(Br)c1
InChIInChI=1S/C12H10BrF2NS/c13-11-5-8(6-17-11)10(16)4-7-2-1-3-9(14)12(7)15/h1-3,5-6,10H,4,16H2
InChIKeyYIGLFMRKUYWUSP-UHFFFAOYSA-N
MW318.19 g/mol
LogP4.03
Rot. Bonds3

About 1-(5-bromothiophen-3-yl)-2-(2,3-difluorophenyl)ethanamine

1-(5-bromothiophen-3-yl)-2-(2,3-difluorophenyl)ethanamine (PubChem CID 105137743) has the molecular formula C12H10BrF2NS and a molecular weight of 318.19 g/mol. Its IUPAC name is 1-(5-bromothiophen-3-yl)-2-(2,3-difluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-3-yl)-2-(2,3-difluorophenyl)ethanamine
PubChem CID105137743
Molecular FormulaC12H10BrF2NS
Molecular Weight318.19 g/mol
Exact Mass316.97
IUPAC Name1-(5-bromothiophen-3-yl)-2-(2,3-difluorophenyl)ethanamine
SMILESNC(Cc1cccc(F)c1F)c1csc(Br)c1
InChIInChI=1S/C12H10BrF2NS/c13-11-5-8(6-17-11)10(16)4-7-2-1-3-9(14)12(7)15/h1-3,5-6,10H,4,16H2
InChIKeyYIGLFMRKUYWUSP-UHFFFAOYSA-N
XLogP4.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.19
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-difluorophenyl)-1-(3,4-difluorophenyl)ethanamine
CID 55095679
1-(5-bromothiophen-3-yl)-2-(3-fluorophenyl)ethanamine
CID 105095905
1-(5-bromo-4-chlorothiophen-2-yl)-2-(2,3-difluorophenyl)ethanamine
CID 80530725
2-(2,3-difluorophenyl)-1-(2,6-dimethyl-4-pyridinyl)ethanamine
CID 107503218
1-(4-chloro-3-fluorophenyl)-2-(2,3-difluorophenyl)ethanamine
CID 107988898
1-(5-bromothiophen-3-yl)-2-(4-iodophenyl)ethanamine
CID 105151941
1-(5-bromothiophen-3-yl)-2-(3-methylphenyl)ethanamine
CID 105091201
1-(5-bromothiophen-3-yl)-2-(3-chloro-2-fluorophenyl)ethanol
CID 102867461
2-(4-bromophenyl)-1-(5-bromothiophen-3-yl)ethanamine
CID 105089162
2-(2,3-difluorophenyl)-1-(3-ethoxyphenyl)ethanamine
CID 62606426
1-(2,3-difluorophenyl)-3-(2,6-difluorophenyl)propan-2-amine
CID 115845161
1-(2-bromo-5-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-amine
CID 115843743

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-3-yl)-2-(2,3-difluorophenyl)ethanamine?
The IUPAC name of 1-(5-bromothiophen-3-yl)-2-(2,3-difluorophenyl)ethanamine (CID 105137743) is 1-(5-bromothiophen-3-yl)-2-(2,3-difluorophenyl)ethanamine.
What is the SMILES notation for 1-(5-bromothiophen-3-yl)-2-(2,3-difluorophenyl)ethanamine?
The canonical SMILES for 1-(5-bromothiophen-3-yl)-2-(2,3-difluorophenyl)ethanamine is NC(Cc1cccc(F)c1F)c1csc(Br)c1.
What is the InChIKey of 1-(5-bromothiophen-3-yl)-2-(2,3-difluorophenyl)ethanamine?
The InChIKey is YIGLFMRKUYWUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrF2NS/c13-11-5-8(6-17-11)10(16)4-7-2-1-3-9(14)12(7)15/h1-3,5-6,10H,4,16H2.
What are the key properties of 1-(5-bromothiophen-3-yl)-2-(2,3-difluorophenyl)ethanamine?
1-(5-bromothiophen-3-yl)-2-(2,3-difluorophenyl)ethanamine has a molecular weight of 318.19 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-3-yl)-2-(2,3-difluorophenyl)ethanamine is sourced from PubChem (CID 105137743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).