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

C10H8Br3NS2 — CID 107968208

IUPAC2-(3-bromothiophen-2-yl)-1-(2,5-dibromothiophen-3-yl)ethanamine
SMILESNC(Cc1sccc1Br)c1cc(Br)sc1Br
InChIInChI=1S/C10H8Br3NS2/c11-6-1-2-15-8(6)4-7(14)5-3-9(12)16-10(5)13/h1-3,7H,4,14H2
InChIKeyJATZMNCLASHMMA-UHFFFAOYSA-N
MW446.03 g/mol
LogP5.34
Rot. Bonds3

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

2-(3-bromothiophen-2-yl)-1-(2,5-dibromothiophen-3-yl)ethanamine (PubChem CID 107968208) has the molecular formula C10H8Br3NS2 and a molecular weight of 446.03 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-1-(2,5-dibromothiophen-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-1-(2,5-dibromothiophen-3-yl)ethanamine
PubChem CID107968208
Molecular FormulaC10H8Br3NS2
Molecular Weight446.03 g/mol
Exact Mass442.76
IUPAC Name2-(3-bromothiophen-2-yl)-1-(2,5-dibromothiophen-3-yl)ethanamine
SMILESNC(Cc1sccc1Br)c1cc(Br)sc1Br
InChIInChI=1S/C10H8Br3NS2/c11-6-1-2-15-8(6)4-7(14)5-3-9(12)16-10(5)13/h1-3,7H,4,14H2
InChIKeyJATZMNCLASHMMA-UHFFFAOYSA-N
XLogP5.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.03
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dibromothiophen-3-yl)-2-thiophen-3-ylethanamine
CID 107962803
2-(3-bromothiophen-2-yl)-1-(3,5-dibromophenyl)ethanamine
CID 107974648
2-(3-bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine
CID 105139558
2-(3-bromothiophen-2-yl)-1-(4,5-dimethylthiophen-2-yl)ethanamine
CID 115849148
2-(2-bromo-5-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanamine
CID 114022096
2-(3-bromothiophen-2-yl)-1-(5-methylthiophen-2-yl)ethanamine
CID 115849210
(2,5-dibromothiophen-3-yl)-(3-methylthiophen-2-yl)methanamine
CID 43464814
1-(2,5-dibromothiophen-3-yl)-2-(3,5-dimethylphenyl)ethanamine
CID 107967937
1-(2,5-dibromothiophen-3-yl)-2-(3,5-difluorophenyl)ethanamine
CID 107969352
2-(3-bromothiophen-2-yl)-1-(3-chloro-4-pyridinyl)ethanamine
CID 105139491
2-(3-bromothiophen-2-yl)-1-(3,4-dimethylphenyl)ethanamine
CID 115848840
1-(3-bromo-4-methylphenyl)-2-(3-bromothiophen-2-yl)ethanamine
CID 115848987

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-1-(2,5-dibromothiophen-3-yl)ethanamine?
The IUPAC name of 2-(3-bromothiophen-2-yl)-1-(2,5-dibromothiophen-3-yl)ethanamine (CID 107968208) is 2-(3-bromothiophen-2-yl)-1-(2,5-dibromothiophen-3-yl)ethanamine.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-1-(2,5-dibromothiophen-3-yl)ethanamine?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-1-(2,5-dibromothiophen-3-yl)ethanamine is NC(Cc1sccc1Br)c1cc(Br)sc1Br.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-1-(2,5-dibromothiophen-3-yl)ethanamine?
The InChIKey is JATZMNCLASHMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br3NS2/c11-6-1-2-15-8(6)4-7(14)5-3-9(12)16-10(5)13/h1-3,7H,4,14H2.
What are the key properties of 2-(3-bromothiophen-2-yl)-1-(2,5-dibromothiophen-3-yl)ethanamine?
2-(3-bromothiophen-2-yl)-1-(2,5-dibromothiophen-3-yl)ethanamine has a molecular weight of 446.03 g/mol, XLogP of 5.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-1-(2,5-dibromothiophen-3-yl)ethanamine is sourced from PubChem (CID 107968208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).