1-(2-bromo-6-fluorophenyl)-2-(4-bromothiophen-2-yl)ethanamine

C12H10Br2FNS — CID 114886786

IUPAC1-(2-bromo-6-fluorophenyl)-2-(4-bromothiophen-2-yl)ethanamine
SMILESNC(Cc1cc(Br)cs1)c1c(F)cccc1Br
InChIInChI=1S/C12H10Br2FNS/c13-7-4-8(17-6-7)5-11(16)12-9(14)2-1-3-10(12)15/h1-4,6,11H,5,16H2
InChIKeyDGIHIWAGLSMRMK-UHFFFAOYSA-N
MW379.09 g/mol
LogP4.65
Rot. Bonds3

About 1-(2-bromo-6-fluorophenyl)-2-(4-bromothiophen-2-yl)ethanamine

1-(2-bromo-6-fluorophenyl)-2-(4-bromothiophen-2-yl)ethanamine (PubChem CID 114886786) has the molecular formula C12H10Br2FNS and a molecular weight of 379.09 g/mol. Its IUPAC name is 1-(2-bromo-6-fluorophenyl)-2-(4-bromothiophen-2-yl)ethanamine.

Molecular Properties

Compound Name1-(2-bromo-6-fluorophenyl)-2-(4-bromothiophen-2-yl)ethanamine
PubChem CID114886786
Molecular FormulaC12H10Br2FNS
Molecular Weight379.09 g/mol
Exact Mass376.89
IUPAC Name1-(2-bromo-6-fluorophenyl)-2-(4-bromothiophen-2-yl)ethanamine
SMILESNC(Cc1cc(Br)cs1)c1c(F)cccc1Br
InChIInChI=1S/C12H10Br2FNS/c13-7-4-8(17-6-7)5-11(16)12-9(14)2-1-3-10(12)15/h1-4,6,11H,5,16H2
InChIKeyDGIHIWAGLSMRMK-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

2-(4-bromothiophen-2-yl)-1-(2,6-difluoro-3-methylphenyl)ethanamine
CID 115848001
1-(4-bromothiophen-2-yl)-3-(2-chloro-6-fluorophenyl)propan-2-amine
CID 55145225
1-(2-bromo-6-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethanamine
CID 114886671
2-(4-bromothiophen-2-yl)-1-(2,6-dimethoxyphenyl)ethanamine
CID 115847619
1-(2-bromo-6-fluorophenyl)-2-(3-fluorophenyl)ethanamine
CID 114559896
1-(2-bromo-6-fluorophenyl)-2-(2,6-dichlorophenyl)ethanamine
CID 114886632
(1S)-1-(2-bromo-6-fluorophenyl)butane-1,4-diamine
CID 171223208
1-(2-bromo-6-fluorophenyl)-2-(2,6-dimethylphenyl)ethanamine
CID 114886689
2-(4-bromothiophen-2-yl)-1-(4-fluoro-3-methylphenyl)ethanamine
CID 62599879
2-(4-bromothiophen-2-yl)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 115847633
(1S)-1-(2-bromo-6-fluorophenyl)-2-cyclopropylethanamine
CID 131145671
[2-(4-bromothiophen-2-yl)-1-(2-fluoro-6-methoxyphenyl)ethyl]hydrazine
CID 105252540

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-fluorophenyl)-2-(4-bromothiophen-2-yl)ethanamine?
The IUPAC name of 1-(2-bromo-6-fluorophenyl)-2-(4-bromothiophen-2-yl)ethanamine (CID 114886786) is 1-(2-bromo-6-fluorophenyl)-2-(4-bromothiophen-2-yl)ethanamine.
What is the SMILES notation for 1-(2-bromo-6-fluorophenyl)-2-(4-bromothiophen-2-yl)ethanamine?
The canonical SMILES for 1-(2-bromo-6-fluorophenyl)-2-(4-bromothiophen-2-yl)ethanamine is NC(Cc1cc(Br)cs1)c1c(F)cccc1Br.
What is the InChIKey of 1-(2-bromo-6-fluorophenyl)-2-(4-bromothiophen-2-yl)ethanamine?
The InChIKey is DGIHIWAGLSMRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2FNS/c13-7-4-8(17-6-7)5-11(16)12-9(14)2-1-3-10(12)15/h1-4,6,11H,5,16H2.
What are the key properties of 1-(2-bromo-6-fluorophenyl)-2-(4-bromothiophen-2-yl)ethanamine?
1-(2-bromo-6-fluorophenyl)-2-(4-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-6-fluorophenyl)-2-(4-bromothiophen-2-yl)ethanamine is sourced from PubChem (CID 114886786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).