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

C12H10Br3NS — CID 107974648

IUPAC2-(3-bromothiophen-2-yl)-1-(3,5-dibromophenyl)ethanamine
SMILESNC(Cc1sccc1Br)c1cc(Br)cc(Br)c1
InChIInChI=1S/C12H10Br3NS/c13-8-3-7(4-9(14)5-8)11(16)6-12-10(15)1-2-17-12/h1-5,11H,6,16H2
InChIKeyZWKPOTZGVYIBHY-UHFFFAOYSA-N
MW440.00 g/mol
LogP5.28
Rot. Bonds3

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

2-(3-bromothiophen-2-yl)-1-(3,5-dibromophenyl)ethanamine (PubChem CID 107974648) has the molecular formula C12H10Br3NS and a molecular weight of 440.00 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-1-(3,5-dibromophenyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-1-(3,5-dibromophenyl)ethanamine
PubChem CID107974648
Molecular FormulaC12H10Br3NS
Molecular Weight440.00 g/mol
Exact Mass436.81
IUPAC Name2-(3-bromothiophen-2-yl)-1-(3,5-dibromophenyl)ethanamine
SMILESNC(Cc1sccc1Br)c1cc(Br)cc(Br)c1
InChIInChI=1S/C12H10Br3NS/c13-8-3-7(4-9(14)5-8)11(16)6-12-10(15)1-2-17-12/h1-5,11H,6,16H2
InChIKeyZWKPOTZGVYIBHY-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-(3-bromo-4-methylphenyl)-2-(3-bromothiophen-2-yl)ethanamine
CID 115848987
2-(3-bromothiophen-2-yl)-1-(3,4-dimethylphenyl)ethanamine
CID 115848840
2-(3-bromothiophen-2-yl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 114025057
2-(3-bromothiophen-2-yl)-1-(2,5-dibromothiophen-3-yl)ethanamine
CID 107968208
2-(3-bromothiophen-2-yl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 65195436
2-(3-bromothiophen-2-yl)-1-(4,5-dimethylthiophen-2-yl)ethanamine
CID 115849148
2-(3-bromothiophen-2-yl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine
CID 115849224
2-(3-bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine
CID 105139558
2-(3-bromothiophen-2-yl)-1-(5-methylthiophen-2-yl)ethanamine
CID 115849210
2-(3-bromothiophen-2-yl)-1-(3-methylfuran-2-yl)ethanamine
CID 104804618
2-(3-bromothiophen-2-yl)-1-(3-chloro-4-pyridinyl)ethanamine
CID 105139491
2-(3-bromothiophen-2-yl)-1-(1-methylimidazol-4-yl)ethanamine
CID 107974649

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-1-(3,5-dibromophenyl)ethanamine?
The IUPAC name of 2-(3-bromothiophen-2-yl)-1-(3,5-dibromophenyl)ethanamine (CID 107974648) is 2-(3-bromothiophen-2-yl)-1-(3,5-dibromophenyl)ethanamine.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-1-(3,5-dibromophenyl)ethanamine?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-1-(3,5-dibromophenyl)ethanamine is NC(Cc1sccc1Br)c1cc(Br)cc(Br)c1.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-1-(3,5-dibromophenyl)ethanamine?
The InChIKey is ZWKPOTZGVYIBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br3NS/c13-8-3-7(4-9(14)5-8)11(16)6-12-10(15)1-2-17-12/h1-5,11H,6,16H2.
What are the key properties of 2-(3-bromothiophen-2-yl)-1-(3,5-dibromophenyl)ethanamine?
2-(3-bromothiophen-2-yl)-1-(3,5-dibromophenyl)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-(3-bromothiophen-2-yl)-1-(3,5-dibromophenyl)ethanamine is sourced from PubChem (CID 107974648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).