N-[(4-bromo-5-chlorothiophen-2-yl)-(2,5-dibromothiophen-3-yl)methyl]ethanamine

C11H9Br3ClNS2 — CID 114021205

IUPACN-[(4-bromo-5-chlorothiophen-2-yl)-(2,5-dibromothiophen-3-yl)methyl]ethanamine
SMILESCCNC(c1cc(Br)c(Cl)s1)c1cc(Br)sc1Br
InChIInChI=1S/C11H9Br3ClNS2/c1-2-16-9(5-3-8(13)18-10(5)14)7-4-6(12)11(15)17-7/h3-4,9,16H,2H2,1H3
InChIKeyZDDGHNSTHPENKP-UHFFFAOYSA-N
MW494.50 g/mol
LogP6.45
Rot. Bonds4

About N-[(4-bromo-5-chlorothiophen-2-yl)-(2,5-dibromothiophen-3-yl)methyl]ethanamine

N-[(4-bromo-5-chlorothiophen-2-yl)-(2,5-dibromothiophen-3-yl)methyl]ethanamine (PubChem CID 114021205) has the molecular formula C11H9Br3ClNS2 and a molecular weight of 494.50 g/mol. Its IUPAC name is N-[(4-bromo-5-chlorothiophen-2-yl)-(2,5-dibromothiophen-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromo-5-chlorothiophen-2-yl)-(2,5-dibromothiophen-3-yl)methyl]ethanamine
PubChem CID114021205
Molecular FormulaC11H9Br3ClNS2
Molecular Weight494.50 g/mol
Exact Mass490.74
IUPAC NameN-[(4-bromo-5-chlorothiophen-2-yl)-(2,5-dibromothiophen-3-yl)methyl]ethanamine
SMILESCCNC(c1cc(Br)c(Cl)s1)c1cc(Br)sc1Br
InChIInChI=1S/C11H9Br3ClNS2/c1-2-16-9(5-3-8(13)18-10(5)14)7-4-6(12)11(15)17-7/h3-4,9,16H,2H2,1H3
InChIKeyZDDGHNSTHPENKP-UHFFFAOYSA-N
XLogP6.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.50
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-bromo-5-chlorothiophen-2-yl)-(2,5-dibromothiophen-3-yl)methyl]ethanamine with MolForge

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Related Compounds

N-[(4-bromo-3-chlorophenyl)-(2,5-dibromothiophen-3-yl)methyl]ethanamine
CID 81290003
N-[(4-bromo-5-chlorothiophen-2-yl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 102828532
N-[(4-bromo-5-chlorothiophen-2-yl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine
CID 102828487
N-[(2-chloro-4,5-difluorophenyl)-(2,5-dibromothiophen-3-yl)methyl]ethanamine
CID 107961474
N-[(3-bromo-4-fluorophenyl)-(2,5-dibromothiophen-3-yl)methyl]ethanamine
CID 107950429
N-[(2,5-dibromothiophen-3-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]ethanamine
CID 43493157
N-[(4-bromo-5-chlorothiophen-2-yl)-(4-methylsulfanylphenyl)methyl]ethanamine
CID 102828671
N-[(4-bromo-5-chlorothiophen-2-yl)-(3-chloro-4-methylphenyl)methyl]ethanamine
CID 102828588
N-[(4-chloro-1-propylpyrazol-5-yl)-(2,5-dibromothiophen-3-yl)methyl]ethanamine
CID 107969130
N-[(2-bromophenyl)-(5-chloro-4-methylthiophen-2-yl)methyl]ethanamine
CID 102763887
N-[(5-bromothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methyl]ethanamine
CID 80533919
N-[(4-bromo-2-methylphenyl)-(2,5-dibromothiophen-3-yl)methyl]ethanamine
CID 43629866

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-5-chlorothiophen-2-yl)-(2,5-dibromothiophen-3-yl)methyl]ethanamine?
The IUPAC name of N-[(4-bromo-5-chlorothiophen-2-yl)-(2,5-dibromothiophen-3-yl)methyl]ethanamine (CID 114021205) is N-[(4-bromo-5-chlorothiophen-2-yl)-(2,5-dibromothiophen-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-bromo-5-chlorothiophen-2-yl)-(2,5-dibromothiophen-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-bromo-5-chlorothiophen-2-yl)-(2,5-dibromothiophen-3-yl)methyl]ethanamine is CCNC(c1cc(Br)c(Cl)s1)c1cc(Br)sc1Br.
What is the InChIKey of N-[(4-bromo-5-chlorothiophen-2-yl)-(2,5-dibromothiophen-3-yl)methyl]ethanamine?
The InChIKey is ZDDGHNSTHPENKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br3ClNS2/c1-2-16-9(5-3-8(13)18-10(5)14)7-4-6(12)11(15)17-7/h3-4,9,16H,2H2,1H3.
What are the key properties of N-[(4-bromo-5-chlorothiophen-2-yl)-(2,5-dibromothiophen-3-yl)methyl]ethanamine?
N-[(4-bromo-5-chlorothiophen-2-yl)-(2,5-dibromothiophen-3-yl)methyl]ethanamine has a molecular weight of 494.50 g/mol, XLogP of 6.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-5-chlorothiophen-2-yl)-(2,5-dibromothiophen-3-yl)methyl]ethanamine is sourced from PubChem (CID 114021205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).