2-(4-bromo-2-chlorophenyl)-1-(3-bromothiophen-2-yl)ethanamine

C12H10Br2ClNS — CID 105038039

IUPAC2-(4-bromo-2-chlorophenyl)-1-(3-bromothiophen-2-yl)ethanamine
SMILESNC(Cc1ccc(Br)cc1Cl)c1sccc1Br
InChIInChI=1S/C12H10Br2ClNS/c13-8-2-1-7(10(15)6-8)5-11(16)12-9(14)3-4-17-12/h1-4,6,11H,5,16H2
InChIKeyDTIRWIQGLGIXDW-UHFFFAOYSA-N
MW395.55 g/mol
LogP5.17
Rot. Bonds3

About 2-(4-bromo-2-chlorophenyl)-1-(3-bromothiophen-2-yl)ethanamine

2-(4-bromo-2-chlorophenyl)-1-(3-bromothiophen-2-yl)ethanamine (PubChem CID 105038039) has the molecular formula C12H10Br2ClNS and a molecular weight of 395.55 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-1-(3-bromothiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-1-(3-bromothiophen-2-yl)ethanamine
PubChem CID105038039
Molecular FormulaC12H10Br2ClNS
Molecular Weight395.55 g/mol
Exact Mass392.86
IUPAC Name2-(4-bromo-2-chlorophenyl)-1-(3-bromothiophen-2-yl)ethanamine
SMILESNC(Cc1ccc(Br)cc1Cl)c1sccc1Br
InChIInChI=1S/C12H10Br2ClNS/c13-8-2-1-7(10(15)6-8)5-11(16)12-9(14)3-4-17-12/h1-4,6,11H,5,16H2
InChIKeyDTIRWIQGLGIXDW-UHFFFAOYSA-N
XLogP5.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.55
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-chlorophenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanamine
CID 103407295
2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 105037869
2-(4-bromo-2-chlorophenyl)-1-(5-chlorofuran-2-yl)ethanamine
CID 106693067
2-(4-bromo-2-chlorophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanamine
CID 105181669
2-(4-bromo-2-chlorophenyl)-1-(4-fluorophenyl)ethanamine
CID 113471237
2-(4-bromo-2-chlorophenyl)-1-(5-methylthiophen-2-yl)ethanamine
CID 105038016
2-(4-bromo-2-chlorophenyl)-1-(2-bromo-4-fluorophenyl)ethanamine
CID 105037980
1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine
CID 106867036
2-(4-bromo-2-chlorophenyl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine
CID 105037791
N-[2-(4-bromo-2-chlorophenyl)-1-(3-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 105037954
2-(4-bromo-2-chlorophenyl)-1-(2-fluorophenyl)ethanamine
CID 113471264
2-(4-bromo-2-chlorophenyl)-1-(3-chloro-2-pyridinyl)ethanamine
CID 103443743

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(3-bromothiophen-2-yl)ethanamine?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(3-bromothiophen-2-yl)ethanamine (CID 105038039) is 2-(4-bromo-2-chlorophenyl)-1-(3-bromothiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-1-(3-bromothiophen-2-yl)ethanamine?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-1-(3-bromothiophen-2-yl)ethanamine is NC(Cc1ccc(Br)cc1Cl)c1sccc1Br.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-1-(3-bromothiophen-2-yl)ethanamine?
The InChIKey is DTIRWIQGLGIXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2ClNS/c13-8-2-1-7(10(15)6-8)5-11(16)12-9(14)3-4-17-12/h1-4,6,11H,5,16H2.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-1-(3-bromothiophen-2-yl)ethanamine?
2-(4-bromo-2-chlorophenyl)-1-(3-bromothiophen-2-yl)ethanamine has a molecular weight of 395.55 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenyl)-1-(3-bromothiophen-2-yl)ethanamine is sourced from PubChem (CID 105038039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).