N-[2-(5-bromothiophen-2-yl)-1-(2,4-dibromophenyl)ethyl]propan-1-amine

C15H16Br3NS — CID 107945453

IUPACN-[2-(5-bromothiophen-2-yl)-1-(2,4-dibromophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Br)s1)c1ccc(Br)cc1Br
InChIInChI=1S/C15H16Br3NS/c1-2-7-19-14(9-11-4-6-15(18)20-11)12-5-3-10(16)8-13(12)17/h3-6,8,14,19H,2,7,9H2,1H3
InChIKeyALXMNKBFGKSSBR-UHFFFAOYSA-N
MW482.08 g/mol
LogP6.32
Rot. Bonds6

About N-[2-(5-bromothiophen-2-yl)-1-(2,4-dibromophenyl)ethyl]propan-1-amine

N-[2-(5-bromothiophen-2-yl)-1-(2,4-dibromophenyl)ethyl]propan-1-amine (PubChem CID 107945453) has the molecular formula C15H16Br3NS and a molecular weight of 482.08 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)-1-(2,4-dibromophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)-1-(2,4-dibromophenyl)ethyl]propan-1-amine
PubChem CID107945453
Molecular FormulaC15H16Br3NS
Molecular Weight482.08 g/mol
Exact Mass478.86
IUPAC NameN-[2-(5-bromothiophen-2-yl)-1-(2,4-dibromophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Br)s1)c1ccc(Br)cc1Br
InChIInChI=1S/C15H16Br3NS/c1-2-7-19-14(9-11-4-6-15(18)20-11)12-5-3-10(16)8-13(12)17/h3-6,8,14,19H,2,7,9H2,1H3
InChIKeyALXMNKBFGKSSBR-UHFFFAOYSA-N
XLogP6.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.08
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-bromo-4-fluorophenyl)-2-(5-bromothiophen-2-yl)ethyl]propan-1-amine
CID 115840822
N-[1-(2,4-dibromophenyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 107945447
N-[1-(4-bromo-2-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 115841362
N-[2-(5-bromothiophen-2-yl)-1-(2-fluoro-4-methoxyphenyl)ethyl]propan-1-amine
CID 81302393
N-[2-(5-bromothiophen-2-yl)-1-(2,3-dimethylphenyl)ethyl]propan-1-amine
CID 115840802
N-[1-(2,4-dibromophenyl)-2-pyridin-4-ylethyl]propan-1-amine
CID 107946176
N-[2-(4-chlorophenyl)-1-(2,4-dibromophenyl)ethyl]propan-1-amine
CID 107944998
1-(2,4-dibromophenyl)-3-methyl-N-propylbutan-1-amine
CID 107944978
N-[1-(3-bromo-5-fluorophenyl)-2-(5-bromothiophen-2-yl)ethyl]propan-1-amine
CID 66425252
N-[2-(5-bromo-2-pyridinyl)-1-(2,4-dibromophenyl)ethyl]propan-1-amine
CID 107946720
1-(2,4-dibromophenyl)-N-propylheptan-1-amine
CID 107945392
N-[2-(5-bromothiophen-2-yl)-1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 79522487

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)-1-(2,4-dibromophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)-1-(2,4-dibromophenyl)ethyl]propan-1-amine (CID 107945453) is N-[2-(5-bromothiophen-2-yl)-1-(2,4-dibromophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)-1-(2,4-dibromophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)-1-(2,4-dibromophenyl)ethyl]propan-1-amine is CCCNC(Cc1ccc(Br)s1)c1ccc(Br)cc1Br.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)-1-(2,4-dibromophenyl)ethyl]propan-1-amine?
The InChIKey is ALXMNKBFGKSSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Br3NS/c1-2-7-19-14(9-11-4-6-15(18)20-11)12-5-3-10(16)8-13(12)17/h3-6,8,14,19H,2,7,9H2,1H3.
What are the key properties of N-[2-(5-bromothiophen-2-yl)-1-(2,4-dibromophenyl)ethyl]propan-1-amine?
N-[2-(5-bromothiophen-2-yl)-1-(2,4-dibromophenyl)ethyl]propan-1-amine has a molecular weight of 482.08 g/mol, XLogP of 6.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)-1-(2,4-dibromophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 107945453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).