2-(5-bromothiophen-2-yl)-1-(2,4-dichlorophenyl)ethanamine

C12H10BrCl2NS — CID 115840906

IUPAC2-(5-bromothiophen-2-yl)-1-(2,4-dichlorophenyl)ethanamine
SMILESNC(Cc1ccc(Br)s1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H10BrCl2NS/c13-12-4-2-8(17-12)6-11(16)9-3-1-7(14)5-10(9)15/h1-5,11H,6,16H2
InChIKeyVDJGWGKZJOMKEG-UHFFFAOYSA-N
MW351.10 g/mol
LogP5.06
Rot. Bonds3

About 2-(5-bromothiophen-2-yl)-1-(2,4-dichlorophenyl)ethanamine

2-(5-bromothiophen-2-yl)-1-(2,4-dichlorophenyl)ethanamine (PubChem CID 115840906) has the molecular formula C12H10BrCl2NS and a molecular weight of 351.10 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1-(2,4-dichlorophenyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1-(2,4-dichlorophenyl)ethanamine
PubChem CID115840906
Molecular FormulaC12H10BrCl2NS
Molecular Weight351.10 g/mol
Exact Mass348.91
IUPAC Name2-(5-bromothiophen-2-yl)-1-(2,4-dichlorophenyl)ethanamine
SMILESNC(Cc1ccc(Br)s1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H10BrCl2NS/c13-12-4-2-8(17-12)6-11(16)9-3-1-7(14)5-10(9)15/h1-5,11H,6,16H2
InChIKeyVDJGWGKZJOMKEG-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

[2-(5-bromothiophen-2-yl)-1-(2,4-dichlorophenyl)ethyl]hydrazine
CID 105295646
2-(5-bromothiophen-2-yl)-1-(4-chlorophenyl)ethanamine
CID 62607913
2-(5-bromothiophen-2-yl)-1-(3-chloro-4-fluorophenyl)ethanamine
CID 55180820
1-(4-bromo-2-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine
CID 115841576
1-(2-bromo-4-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanamine
CID 115841235
2-(5-chlorothiophen-2-yl)-1-(2,5-dichlorophenyl)ethanamine
CID 115841631
2-(5-bromothiophen-2-yl)-1-(2-fluorophenyl)ethanamine
CID 63084882
2-(5-bromothiophen-2-yl)-1-(4-chloro-2-fluorophenyl)ethanol
CID 63083123
2-(2-bromo-3-fluorophenyl)-1-(2,4-dichlorophenyl)ethanamine
CID 105020396
1-(2-bromo-4-chlorophenyl)-2-(5-bromothiophen-2-yl)-N-methylethanamine
CID 114025025
(1R)-1-(2,4-dichlorophenyl)propane-1,3-diamine;hydrochloride
CID 171212529
2-(5-bromothiophen-2-yl)-1-(2-methylsulfanylphenyl)ethanamine
CID 115841290

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-1-(2,4-dichlorophenyl)ethanamine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1-(2,4-dichlorophenyl)ethanamine (CID 115840906) is 2-(5-bromothiophen-2-yl)-1-(2,4-dichlorophenyl)ethanamine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1-(2,4-dichlorophenyl)ethanamine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1-(2,4-dichlorophenyl)ethanamine is NC(Cc1ccc(Br)s1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1-(2,4-dichlorophenyl)ethanamine?
The InChIKey is VDJGWGKZJOMKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrCl2NS/c13-12-4-2-8(17-12)6-11(16)9-3-1-7(14)5-10(9)15/h1-5,11H,6,16H2.
What are the key properties of 2-(5-bromothiophen-2-yl)-1-(2,4-dichlorophenyl)ethanamine?
2-(5-bromothiophen-2-yl)-1-(2,4-dichlorophenyl)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 2-(5-bromothiophen-2-yl)-1-(2,4-dichlorophenyl)ethanamine is sourced from PubChem (CID 115840906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).