N-[2-(3-bromophenyl)-1-(4,5-dibromothiophen-2-yl)ethyl]propan-1-amine

C15H16Br3NS — CID 80534054

IUPACN-[2-(3-bromophenyl)-1-(4,5-dibromothiophen-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(Br)c1)c1cc(Br)c(Br)s1
InChIInChI=1S/C15H16Br3NS/c1-2-6-19-13(14-9-12(17)15(18)20-14)8-10-4-3-5-11(16)7-10/h3-5,7,9,13,19H,2,6,8H2,1H3
InChIKeyZOLPPAWYSREMTL-UHFFFAOYSA-N
MW482.08 g/mol
LogP6.32
Rot. Bonds6

About N-[2-(3-bromophenyl)-1-(4,5-dibromothiophen-2-yl)ethyl]propan-1-amine

N-[2-(3-bromophenyl)-1-(4,5-dibromothiophen-2-yl)ethyl]propan-1-amine (PubChem CID 80534054) has the molecular formula C15H16Br3NS and a molecular weight of 482.08 g/mol. Its IUPAC name is N-[2-(3-bromophenyl)-1-(4,5-dibromothiophen-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3-bromophenyl)-1-(4,5-dibromothiophen-2-yl)ethyl]propan-1-amine
PubChem CID80534054
Molecular FormulaC15H16Br3NS
Molecular Weight482.08 g/mol
Exact Mass478.86
IUPAC NameN-[2-(3-bromophenyl)-1-(4,5-dibromothiophen-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(Br)c1)c1cc(Br)c(Br)s1
InChIInChI=1S/C15H16Br3NS/c1-2-6-19-13(14-9-12(17)15(18)20-14)8-10-4-3-5-11(16)7-10/h3-5,7,9,13,19H,2,6,8H2,1H3
InChIKeyZOLPPAWYSREMTL-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-(4-bromo-5-chlorothiophen-2-yl)-2-(3-bromophenyl)ethyl]propan-1-amine
CID 102828771
N-[2-(3-bromophenyl)-1-(5-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 63502688
1-(4,5-dibromothiophen-2-yl)-3-phenyl-N-propylpropan-1-amine
CID 115793519
N-[2-(3-bromophenyl)-1-(4-bromophenyl)ethyl]propan-1-amine
CID 60817937
N-[2-(2-bromo-3-fluorophenyl)-1-(4,5-dibromothiophen-2-yl)ethyl]propan-1-amine
CID 105020320
N-[1-(4-bromo-3-chlorophenyl)-2-(3-bromophenyl)ethyl]propan-1-amine
CID 81291663
N-[2-(3-bromophenyl)-1-thiophen-3-ylethyl]propan-1-amine
CID 60820051
N-[2-(3-bromophenyl)-1-(2-iodophenyl)ethyl]propan-1-amine
CID 63528987
N-[1-(4,5-dibromothiophen-2-yl)-2-(2,5-dichlorophenyl)ethyl]propan-1-amine
CID 115862935
N-[2-(3-bromophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 105089526
1-(4,5-dibromothiophen-2-yl)-N-propyloctan-1-amine
CID 80535572
N-[1-(4,5-dibromothiophen-2-yl)-2-ethoxyethyl]propan-1-amine
CID 105007809

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenyl)-1-(4,5-dibromothiophen-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(3-bromophenyl)-1-(4,5-dibromothiophen-2-yl)ethyl]propan-1-amine (CID 80534054) is N-[2-(3-bromophenyl)-1-(4,5-dibromothiophen-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3-bromophenyl)-1-(4,5-dibromothiophen-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(3-bromophenyl)-1-(4,5-dibromothiophen-2-yl)ethyl]propan-1-amine is CCCNC(Cc1cccc(Br)c1)c1cc(Br)c(Br)s1.
What is the InChIKey of N-[2-(3-bromophenyl)-1-(4,5-dibromothiophen-2-yl)ethyl]propan-1-amine?
The InChIKey is ZOLPPAWYSREMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Br3NS/c1-2-6-19-13(14-9-12(17)15(18)20-14)8-10-4-3-5-11(16)7-10/h3-5,7,9,13,19H,2,6,8H2,1H3.
What are the key properties of N-[2-(3-bromophenyl)-1-(4,5-dibromothiophen-2-yl)ethyl]propan-1-amine?
N-[2-(3-bromophenyl)-1-(4,5-dibromothiophen-2-yl)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-(3-bromophenyl)-1-(4,5-dibromothiophen-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 80534054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).