2-(4-bromothiophen-2-yl)-1-(2,4-dibromophenyl)-N-methylethanamine

C13H12Br3NS — CID 114019256

IUPAC2-(4-bromothiophen-2-yl)-1-(2,4-dibromophenyl)-N-methylethanamine
SMILESCNC(Cc1cc(Br)cs1)c1ccc(Br)cc1Br
InChIInChI=1S/C13H12Br3NS/c1-17-13(6-10-4-9(15)7-18-10)11-3-2-8(14)5-12(11)16/h2-5,7,13,17H,6H2,1H3
InChIKeyOOGNGVXHZIZQSP-UHFFFAOYSA-N
MW454.03 g/mol
LogP5.54
Rot. Bonds4

About 2-(4-bromothiophen-2-yl)-1-(2,4-dibromophenyl)-N-methylethanamine

2-(4-bromothiophen-2-yl)-1-(2,4-dibromophenyl)-N-methylethanamine (PubChem CID 114019256) has the molecular formula C13H12Br3NS and a molecular weight of 454.03 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-1-(2,4-dibromophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-1-(2,4-dibromophenyl)-N-methylethanamine
PubChem CID114019256
Molecular FormulaC13H12Br3NS
Molecular Weight454.03 g/mol
Exact Mass450.82
IUPAC Name2-(4-bromothiophen-2-yl)-1-(2,4-dibromophenyl)-N-methylethanamine
SMILESCNC(Cc1cc(Br)cs1)c1ccc(Br)cc1Br
InChIInChI=1S/C13H12Br3NS/c1-17-13(6-10-4-9(15)7-18-10)11-3-2-8(14)5-12(11)16/h2-5,7,13,17H,6H2,1H3
InChIKeyOOGNGVXHZIZQSP-UHFFFAOYSA-N
XLogP5.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.03
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromothiophen-2-yl)-1-(2,5-dibromophenyl)-N-methylethanamine
CID 115848058
1-(2,4-dibromophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 114019360
2-(4-bromothiophen-2-yl)-1-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 81278511
2-(4-bromothiophen-2-yl)-1-[2-(difluoromethoxy)phenyl]-N-methylethanamine
CID 115847852
1-(2,4-dibromophenyl)-2-(4-ethylphenyl)-N-methylethanamine
CID 107945186
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,4-dibromophenyl)-N-methylethanamine
CID 107946408
2-(4-bromothiophen-2-yl)-N-methyl-1-pyridin-4-ylethanamine
CID 62602058
2-(4-bromothiophen-2-yl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine
CID 115847577
2-(5-bromo-3-pyridinyl)-1-(2,4-dibromophenyl)-N-methylethanamine
CID 107946725
1-(2,4-dibromophenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
CID 107946640
2-(4-bromothiophen-2-yl)-1-[4-bromo-3-(trifluoromethyl)phenyl]-N-methylethanamine
CID 115847988
1-(2-bromo-4-chlorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 114025371

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-1-(2,4-dibromophenyl)-N-methylethanamine?
The IUPAC name of 2-(4-bromothiophen-2-yl)-1-(2,4-dibromophenyl)-N-methylethanamine (CID 114019256) is 2-(4-bromothiophen-2-yl)-1-(2,4-dibromophenyl)-N-methylethanamine.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-1-(2,4-dibromophenyl)-N-methylethanamine?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-1-(2,4-dibromophenyl)-N-methylethanamine is CNC(Cc1cc(Br)cs1)c1ccc(Br)cc1Br.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-1-(2,4-dibromophenyl)-N-methylethanamine?
The InChIKey is OOGNGVXHZIZQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br3NS/c1-17-13(6-10-4-9(15)7-18-10)11-3-2-8(14)5-12(11)16/h2-5,7,13,17H,6H2,1H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-1-(2,4-dibromophenyl)-N-methylethanamine?
2-(4-bromothiophen-2-yl)-1-(2,4-dibromophenyl)-N-methylethanamine has a molecular weight of 454.03 g/mol, XLogP of 5.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-1-(2,4-dibromophenyl)-N-methylethanamine is sourced from PubChem (CID 114019256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).