2-(5-bromothiophen-2-yl)-1-(2,5-dichlorothiophen-3-yl)-N-methylethanamine

C11H10BrCl2NS2 — CID 114022091

IUPAC2-(5-bromothiophen-2-yl)-1-(2,5-dichlorothiophen-3-yl)-N-methylethanamine
SMILESCNC(Cc1ccc(Br)s1)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H10BrCl2NS2/c1-15-8(4-6-2-3-9(12)16-6)7-5-10(13)17-11(7)14/h2-3,5,8,15H,4H2,1H3
InChIKeyBEUCIWWZPCMVLO-UHFFFAOYSA-N
MW371.15 g/mol
LogP5.38
Rot. Bonds4

About 2-(5-bromothiophen-2-yl)-1-(2,5-dichlorothiophen-3-yl)-N-methylethanamine

2-(5-bromothiophen-2-yl)-1-(2,5-dichlorothiophen-3-yl)-N-methylethanamine (PubChem CID 114022091) has the molecular formula C11H10BrCl2NS2 and a molecular weight of 371.15 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1-(2,5-dichlorothiophen-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1-(2,5-dichlorothiophen-3-yl)-N-methylethanamine
PubChem CID114022091
Molecular FormulaC11H10BrCl2NS2
Molecular Weight371.15 g/mol
Exact Mass368.88
IUPAC Name2-(5-bromothiophen-2-yl)-1-(2,5-dichlorothiophen-3-yl)-N-methylethanamine
SMILESCNC(Cc1ccc(Br)s1)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H10BrCl2NS2/c1-15-8(4-6-2-3-9(12)16-6)7-5-10(13)17-11(7)14/h2-3,5,8,15H,4H2,1H3
InChIKeyBEUCIWWZPCMVLO-UHFFFAOYSA-N
XLogP5.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.15
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromothiophen-2-yl)-1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine
CID 114022092
1-(2-bromo-4-chlorophenyl)-2-(5-bromothiophen-2-yl)-N-methylethanamine
CID 114025025
2-(2-bromo-3-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylethanamine
CID 107968820
1-(2-bromo-4-methylphenyl)-2-(5-bromothiophen-2-yl)-N-methylethanamine
CID 115840991
N-[(5-bromothiophen-2-yl)methyl]-1-(2,5-dichlorothiophen-3-yl)ethanamine
CID 114082698
1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(2-methylphenyl)ethanamine
CID 43486785
2-(3-bromo-4-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylethanamine
CID 107968016
1-(2,5-dichlorothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 107968056
2-(5-bromothiophen-2-yl)-N-methyl-1-pyridin-4-ylethanamine
CID 62601106
1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 107963061
1-(5-bromothiophen-2-yl)-N-methylpropan-2-amine
CID 62602112
2-(5-bromothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-methylethanamine
CID 105134447

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-1-(2,5-dichlorothiophen-3-yl)-N-methylethanamine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1-(2,5-dichlorothiophen-3-yl)-N-methylethanamine (CID 114022091) is 2-(5-bromothiophen-2-yl)-1-(2,5-dichlorothiophen-3-yl)-N-methylethanamine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1-(2,5-dichlorothiophen-3-yl)-N-methylethanamine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1-(2,5-dichlorothiophen-3-yl)-N-methylethanamine is CNC(Cc1ccc(Br)s1)c1cc(Cl)sc1Cl.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1-(2,5-dichlorothiophen-3-yl)-N-methylethanamine?
The InChIKey is BEUCIWWZPCMVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrCl2NS2/c1-15-8(4-6-2-3-9(12)16-6)7-5-10(13)17-11(7)14/h2-3,5,8,15H,4H2,1H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-1-(2,5-dichlorothiophen-3-yl)-N-methylethanamine?
2-(5-bromothiophen-2-yl)-1-(2,5-dichlorothiophen-3-yl)-N-methylethanamine has a molecular weight of 371.15 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-1-(2,5-dichlorothiophen-3-yl)-N-methylethanamine is sourced from PubChem (CID 114022091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).