1-(2-bromo-4-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanamine

C12H10Br2FNS — CID 115841235

IUPAC1-(2-bromo-4-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanamine
SMILESNC(Cc1ccc(Br)s1)c1ccc(F)cc1Br
InChIInChI=1S/C12H10Br2FNS/c13-10-5-7(15)1-3-9(10)11(16)6-8-2-4-12(14)17-8/h1-5,11H,6,16H2
InChIKeyPIUYIXARGLKITA-UHFFFAOYSA-N
MW379.09 g/mol
LogP4.65
Rot. Bonds3

About 1-(2-bromo-4-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanamine

1-(2-bromo-4-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanamine (PubChem CID 115841235) has the molecular formula C12H10Br2FNS and a molecular weight of 379.09 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanamine.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanamine
PubChem CID115841235
Molecular FormulaC12H10Br2FNS
Molecular Weight379.09 g/mol
Exact Mass376.89
IUPAC Name1-(2-bromo-4-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanamine
SMILESNC(Cc1ccc(Br)s1)c1ccc(F)cc1Br
InChIInChI=1S/C12H10Br2FNS/c13-10-5-7(15)1-3-9(10)11(16)6-8-2-4-12(14)17-8/h1-5,11H,6,16H2
InChIKeyPIUYIXARGLKITA-UHFFFAOYSA-N
XLogP4.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.09
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-bis(2-bromo-4-fluorophenyl)ethanamine
CID 115843294
2-(5-bromothiophen-2-yl)-1-(2-fluorophenyl)ethanamine
CID 63084882
(1R)-1-(2-bromo-4-fluorophenyl)ethane-1,2-diamine
CID 66517956
N-[1-(2-bromo-4-fluorophenyl)-2-(5-bromothiophen-2-yl)ethyl]propan-1-amine
CID 115840822
(1R)-1-(2-bromo-4-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171220747
2-(5-bromothiophen-2-yl)-1-(2,4-dichlorophenyl)ethanamine
CID 115840906
1-(4-bromo-3-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanamine
CID 115841293
2-(4-bromo-2-chlorophenyl)-1-(2-bromo-4-fluorophenyl)ethanamine
CID 105037980
1-(2-bromo-4-fluorophenyl)-N-[2-(5-bromothiophen-2-yl)ethyl]ethanamine
CID 106043231
(1R)-1-(2-bromo-4-fluorophenyl)-3,3-difluoropropan-1-amine
CID 131494650
(2S)-2-amino-2-(2-bromo-4-fluorophenyl)ethanol;hydrochloride
CID 171201244
(1R)-1-(2-bromo-4-fluorophenyl)pentan-1-amine;hydrochloride
CID 171201221

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanamine?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanamine (CID 115841235) is 1-(2-bromo-4-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanamine.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanamine?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanamine is NC(Cc1ccc(Br)s1)c1ccc(F)cc1Br.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanamine?
The InChIKey is PIUYIXARGLKITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2FNS/c13-10-5-7(15)1-3-9(10)11(16)6-8-2-4-12(14)17-8/h1-5,11H,6,16H2.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanamine?
1-(2-bromo-4-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanamine has a molecular weight of 379.09 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanamine is sourced from PubChem (CID 115841235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).