1-(5-bromo-2-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine

C12H10BrCl2NS — CID 115841430

IUPAC1-(5-bromo-2-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine
SMILESNC(Cc1ccc(Cl)s1)c1cc(Br)ccc1Cl
InChIInChI=1S/C12H10BrCl2NS/c13-7-1-3-10(14)9(5-7)11(16)6-8-2-4-12(15)17-8/h1-5,11H,6,16H2
InChIKeyKGWYJZYZHWUHMB-UHFFFAOYSA-N
MW351.10 g/mol
LogP5.06
Rot. Bonds3

About 1-(5-bromo-2-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine

1-(5-bromo-2-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine (PubChem CID 115841430) has the molecular formula C12H10BrCl2NS and a molecular weight of 351.10 g/mol. Its IUPAC name is 1-(5-bromo-2-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine
PubChem CID115841430
Molecular FormulaC12H10BrCl2NS
Molecular Weight351.10 g/mol
Exact Mass348.91
IUPAC Name1-(5-bromo-2-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine
SMILESNC(Cc1ccc(Cl)s1)c1cc(Br)ccc1Cl
InChIInChI=1S/C12H10BrCl2NS/c13-7-1-3-10(14)9(5-7)11(16)6-8-2-4-12(15)17-8/h1-5,11H,6,16H2
InChIKeyKGWYJZYZHWUHMB-UHFFFAOYSA-N
XLogP5.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.10
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine
CID 115841576
2-(5-chlorothiophen-2-yl)-1-(2,5-dichlorophenyl)ethanamine
CID 115841631
[1-(5-bromo-2-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethyl]hydrazine
CID 105295898
1-(5-bromo-2-chlorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 115841770
1-(2,5-dibromophenyl)-2-(5-ethylthiophen-2-yl)ethanamine
CID 115842771
1-(5-bromo-2-chlorophenyl)propan-1-amine
CID 83988605
1-(5-bromo-2-chlorophenyl)-2-(furan-2-yl)ethanamine
CID 105029176
2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 105037869
(1R)-1-(5-bromo-2-chlorophenyl)propan-1-amine;hydrochloride
CID 171203975
2-(5-chlorothiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 115841648
1-(5-bromo-2-chlorophenyl)-3-methylbutan-1-amine
CID 83988607
3-amino-3-(5-bromo-2-chlorophenyl)propan-1-ol
CID 84711249

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine?
The IUPAC name of 1-(5-bromo-2-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine (CID 115841430) is 1-(5-bromo-2-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine.
What is the SMILES notation for 1-(5-bromo-2-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine?
The canonical SMILES for 1-(5-bromo-2-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine is NC(Cc1ccc(Cl)s1)c1cc(Br)ccc1Cl.
What is the InChIKey of 1-(5-bromo-2-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine?
The InChIKey is KGWYJZYZHWUHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrCl2NS/c13-7-1-3-10(14)9(5-7)11(16)6-8-2-4-12(15)17-8/h1-5,11H,6,16H2.
What are the key properties of 1-(5-bromo-2-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine?
1-(5-bromo-2-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine has a molecular weight of 351.10 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine is sourced from PubChem (CID 115841430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).