1-(4-bromo-2-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine

C12H10BrCl2NS — CID 115841576

IUPAC1-(4-bromo-2-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine
SMILESNC(Cc1ccc(Cl)s1)c1ccc(Br)cc1Cl
InChIInChI=1S/C12H10BrCl2NS/c13-7-1-3-9(10(14)5-7)11(16)6-8-2-4-12(15)17-8/h1-5,11H,6,16H2
InChIKeyDXPGIUXBNXQGDW-UHFFFAOYSA-N
MW351.10 g/mol
LogP5.06
Rot. Bonds3

About 1-(4-bromo-2-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine

1-(4-bromo-2-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine (PubChem CID 115841576) has the molecular formula C12H10BrCl2NS and a molecular weight of 351.10 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine
PubChem CID115841576
Molecular FormulaC12H10BrCl2NS
Molecular Weight351.10 g/mol
Exact Mass348.91
IUPAC Name1-(4-bromo-2-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine
SMILESNC(Cc1ccc(Cl)s1)c1ccc(Br)cc1Cl
InChIInChI=1S/C12H10BrCl2NS/c13-7-1-3-9(10(14)5-7)11(16)6-8-2-4-12(15)17-8/h1-5,11H,6,16H2
InChIKeyDXPGIUXBNXQGDW-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-(5-bromo-2-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine
CID 115841430
2-(5-bromothiophen-2-yl)-1-(2,4-dichlorophenyl)ethanamine
CID 115840906
2-(5-chlorothiophen-2-yl)-1-(2,5-dichlorophenyl)ethanamine
CID 115841631
N-[1-(4-bromo-2-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 115841362
1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine
CID 106867036
[1-(5-bromo-2-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethyl]hydrazine
CID 105295898
1-(4-bromo-2-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
CID 115817163
1-(4-bromo-2-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethanamine
CID 115843665
2-amino-2-(4-bromo-2-chlorophenyl)ethanol;hydrochloride
CID 155888152
(1R)-1-(4-bromo-2-chlorophenyl)pentan-1-amine;hydrochloride
CID 171204059
2-(5-chlorothiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 115841648
2-[bromo-(4-bromo-2-chlorophenyl)methyl]-5-chlorothiophene
CID 63441426

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine (CID 115841576) is 1-(4-bromo-2-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine is NC(Cc1ccc(Cl)s1)c1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine?
The InChIKey is DXPGIUXBNXQGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrCl2NS/c13-7-1-3-9(10(14)5-7)11(16)6-8-2-4-12(15)17-8/h1-5,11H,6,16H2.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine?
1-(4-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-(4-bromo-2-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine is sourced from PubChem (CID 115841576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).