N-[(7-bromo-1-benzothiophen-3-yl)-(2,5-dibromothiophen-3-yl)methyl]ethanamine

C15H12Br3NS2 — CID 107961200

IUPACN-[(7-bromo-1-benzothiophen-3-yl)-(2,5-dibromothiophen-3-yl)methyl]ethanamine
SMILESCCNC(c1cc(Br)sc1Br)c1csc2c(Br)cccc12
InChIInChI=1S/C15H12Br3NS2/c1-2-19-13(9-6-12(17)21-15(9)18)10-7-20-14-8(10)4-3-5-11(14)16/h3-7,13,19H,2H2,1H3
InChIKeyKBBIEEAMEPJKHD-UHFFFAOYSA-N
MW510.11 g/mol
LogP6.95
Rot. Bonds4

About N-[(7-bromo-1-benzothiophen-3-yl)-(2,5-dibromothiophen-3-yl)methyl]ethanamine

N-[(7-bromo-1-benzothiophen-3-yl)-(2,5-dibromothiophen-3-yl)methyl]ethanamine (PubChem CID 107961200) has the molecular formula C15H12Br3NS2 and a molecular weight of 510.11 g/mol. Its IUPAC name is N-[(7-bromo-1-benzothiophen-3-yl)-(2,5-dibromothiophen-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(7-bromo-1-benzothiophen-3-yl)-(2,5-dibromothiophen-3-yl)methyl]ethanamine
PubChem CID107961200
Molecular FormulaC15H12Br3NS2
Molecular Weight510.11 g/mol
Exact Mass506.80
IUPAC NameN-[(7-bromo-1-benzothiophen-3-yl)-(2,5-dibromothiophen-3-yl)methyl]ethanamine
SMILESCCNC(c1cc(Br)sc1Br)c1csc2c(Br)cccc12
InChIInChI=1S/C15H12Br3NS2/c1-2-19-13(9-6-12(17)21-15(9)18)10-7-20-14-8(10)4-3-5-11(14)16/h3-7,13,19H,2H2,1H3
InChIKeyKBBIEEAMEPJKHD-UHFFFAOYSA-N
XLogP6.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.11
LogP ≤ 56.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(7-bromo-1-benzothiophen-3-yl)-(2,5-dibromothiophen-3-yl)methyl]ethanamine with MolForge

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Related Compounds

1-(7-bromo-1-benzothiophen-3-yl)-N-ethylbutan-1-amine
CID 81142072
1-(7-bromo-1-benzothiophen-3-yl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 81141920
N-[(2,5-dibromothiophen-3-yl)-(3-propylphenyl)methyl]ethanamine
CID 107969254
N-[(3-bromo-4-fluorophenyl)-(2,5-dibromothiophen-3-yl)methyl]ethanamine
CID 107950429
N-[(2,5-dibromothiophen-3-yl)-(2,5-dimethylphenyl)methyl]ethanamine
CID 43493204
N-[(4-bromo-2-methylphenyl)-(2,5-dibromothiophen-3-yl)methyl]ethanamine
CID 43629866
N-[(3-bromo-2,6-difluorophenyl)-(2,5-dibromothiophen-3-yl)methyl]ethanamine
CID 107969508
N-[(2-chloro-4,5-difluorophenyl)-(2,5-dibromothiophen-3-yl)methyl]ethanamine
CID 107961474
N-[(2,5-dibromothiophen-3-yl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43493210
N-[(4-bromo-3-chlorophenyl)-(2,5-dibromothiophen-3-yl)methyl]ethanamine
CID 81290003
N-[(4-bromo-5-chlorothiophen-2-yl)-(2,5-dibromothiophen-3-yl)methyl]ethanamine
CID 114021205
N-[(2,5-dibromothiophen-3-yl)-(7-fluoro-1-benzofuran-2-yl)methyl]ethanamine
CID 107969207

Frequently Asked Questions

What is the IUPAC name of N-[(7-bromo-1-benzothiophen-3-yl)-(2,5-dibromothiophen-3-yl)methyl]ethanamine?
The IUPAC name of N-[(7-bromo-1-benzothiophen-3-yl)-(2,5-dibromothiophen-3-yl)methyl]ethanamine (CID 107961200) is N-[(7-bromo-1-benzothiophen-3-yl)-(2,5-dibromothiophen-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(7-bromo-1-benzothiophen-3-yl)-(2,5-dibromothiophen-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(7-bromo-1-benzothiophen-3-yl)-(2,5-dibromothiophen-3-yl)methyl]ethanamine is CCNC(c1cc(Br)sc1Br)c1csc2c(Br)cccc12.
What is the InChIKey of N-[(7-bromo-1-benzothiophen-3-yl)-(2,5-dibromothiophen-3-yl)methyl]ethanamine?
The InChIKey is KBBIEEAMEPJKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br3NS2/c1-2-19-13(9-6-12(17)21-15(9)18)10-7-20-14-8(10)4-3-5-11(14)16/h3-7,13,19H,2H2,1H3.
What are the key properties of N-[(7-bromo-1-benzothiophen-3-yl)-(2,5-dibromothiophen-3-yl)methyl]ethanamine?
N-[(7-bromo-1-benzothiophen-3-yl)-(2,5-dibromothiophen-3-yl)methyl]ethanamine has a molecular weight of 510.11 g/mol, XLogP of 6.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-bromo-1-benzothiophen-3-yl)-(2,5-dibromothiophen-3-yl)methyl]ethanamine is sourced from PubChem (CID 107961200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).