2-(4-bromophenyl)-1-(4,5-dibromothiophen-2-yl)ethanamine

C12H10Br3NS — CID 80532924

IUPAC2-(4-bromophenyl)-1-(4,5-dibromothiophen-2-yl)ethanamine
SMILESNC(Cc1ccc(Br)cc1)c1cc(Br)c(Br)s1
InChIInChI=1S/C12H10Br3NS/c13-8-3-1-7(2-4-8)5-10(16)11-6-9(14)12(15)17-11/h1-4,6,10H,5,16H2
InChIKeyVKOFLBUKVSKWPS-UHFFFAOYSA-N
MW440.00 g/mol
LogP5.28
Rot. Bonds3

About 2-(4-bromophenyl)-1-(4,5-dibromothiophen-2-yl)ethanamine

2-(4-bromophenyl)-1-(4,5-dibromothiophen-2-yl)ethanamine (PubChem CID 80532924) has the molecular formula C12H10Br3NS and a molecular weight of 440.00 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(4,5-dibromothiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(4,5-dibromothiophen-2-yl)ethanamine
PubChem CID80532924
Molecular FormulaC12H10Br3NS
Molecular Weight440.00 g/mol
Exact Mass436.81
IUPAC Name2-(4-bromophenyl)-1-(4,5-dibromothiophen-2-yl)ethanamine
SMILESNC(Cc1ccc(Br)cc1)c1cc(Br)c(Br)s1
InChIInChI=1S/C12H10Br3NS/c13-8-3-1-7(2-4-8)5-10(16)11-6-9(14)12(15)17-11/h1-4,6,10H,5,16H2
InChIKeyVKOFLBUKVSKWPS-UHFFFAOYSA-N
XLogP5.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.00
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-4-chlorothiophen-2-yl)-2-(4-bromophenyl)ethanamine
CID 80530877
2,3-dibromo-5-[1-bromo-2-(4-bromophenyl)ethyl]thiophene
CID 80534268
2-(4-bromo-2-fluorophenyl)-1-(4,5-dibromothiophen-2-yl)ethanamine
CID 115844464
2-(3-bromo-4-methoxyphenyl)-1-(4,5-dibromothiophen-2-yl)ethanamine
CID 115817818
2-(4-bromophenyl)-1-(5-chloro-4-methylthiophen-2-yl)ethanamine
CID 102763560
(1S)-1-(4,5-dibromothiophen-2-yl)propan-1-amine
CID 82758330
2-amino-2-(4,5-dibromothiophen-2-yl)ethanol
CID 103846013
2-(4-bromophenyl)-1-(5-bromothiophen-3-yl)ethanamine
CID 105089162
1-(4,5-dibromothiophen-2-yl)-2-naphthalen-1-ylethanamine
CID 80536710
1-(4,5-dibromothiophen-2-yl)-2-(2,5-dimethylphenyl)ethanamine
CID 80533040
(1S)-1-(4,5-dibromothiophen-2-yl)-3-methylbutan-1-amine
CID 131013810
1-(4,5-dibromothiophen-2-yl)-2-(2,3-dichlorophenyl)ethanamine
CID 107312305

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(4,5-dibromothiophen-2-yl)ethanamine?
The IUPAC name of 2-(4-bromophenyl)-1-(4,5-dibromothiophen-2-yl)ethanamine (CID 80532924) is 2-(4-bromophenyl)-1-(4,5-dibromothiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-1-(4,5-dibromothiophen-2-yl)ethanamine?
The canonical SMILES for 2-(4-bromophenyl)-1-(4,5-dibromothiophen-2-yl)ethanamine is NC(Cc1ccc(Br)cc1)c1cc(Br)c(Br)s1.
What is the InChIKey of 2-(4-bromophenyl)-1-(4,5-dibromothiophen-2-yl)ethanamine?
The InChIKey is VKOFLBUKVSKWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br3NS/c13-8-3-1-7(2-4-8)5-10(16)11-6-9(14)12(15)17-11/h1-4,6,10H,5,16H2.
What are the key properties of 2-(4-bromophenyl)-1-(4,5-dibromothiophen-2-yl)ethanamine?
2-(4-bromophenyl)-1-(4,5-dibromothiophen-2-yl)ethanamine has a molecular weight of 440.00 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(4,5-dibromothiophen-2-yl)ethanamine is sourced from PubChem (CID 80532924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).