N-[1-(3-bromothiophen-2-yl)-2-(4-bromothiophen-2-yl)ethyl]propan-1-amine

C13H15Br2NS2 — CID 115847708

IUPACN-[1-(3-bromothiophen-2-yl)-2-(4-bromothiophen-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(Br)cs1)c1sccc1Br
InChIInChI=1S/C13H15Br2NS2/c1-2-4-16-12(13-11(15)3-5-17-13)7-10-6-9(14)8-18-10/h3,5-6,8,12,16H,2,4,7H2,1H3
InChIKeyAMOHFVOJVOEZRV-UHFFFAOYSA-N
MW409.21 g/mol
LogP5.62
Rot. Bonds6

About N-[1-(3-bromothiophen-2-yl)-2-(4-bromothiophen-2-yl)ethyl]propan-1-amine

N-[1-(3-bromothiophen-2-yl)-2-(4-bromothiophen-2-yl)ethyl]propan-1-amine (PubChem CID 115847708) has the molecular formula C13H15Br2NS2 and a molecular weight of 409.21 g/mol. Its IUPAC name is N-[1-(3-bromothiophen-2-yl)-2-(4-bromothiophen-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-bromothiophen-2-yl)-2-(4-bromothiophen-2-yl)ethyl]propan-1-amine
PubChem CID115847708
Molecular FormulaC13H15Br2NS2
Molecular Weight409.21 g/mol
Exact Mass406.90
IUPAC NameN-[1-(3-bromothiophen-2-yl)-2-(4-bromothiophen-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(Br)cs1)c1sccc1Br
InChIInChI=1S/C13H15Br2NS2/c1-2-4-16-12(13-11(15)3-5-17-13)7-10-6-9(14)8-18-10/h3,5-6,8,12,16H,2,4,7H2,1H3
InChIKeyAMOHFVOJVOEZRV-UHFFFAOYSA-N
XLogP5.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.21
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-bromothiophen-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
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N-[2-(5-bromo-2-pyridinyl)-1-(3-bromothiophen-2-yl)ethyl]propan-1-amine
CID 105036190
N-[2-(4-bromothiophen-2-yl)-1-(5-ethylfuran-2-yl)ethyl]propan-1-amine
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N-[1-(3-bromothiophen-2-yl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine
CID 103052896
N-[2-(4-bromothiophen-2-yl)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 62606210
N-[2-(4-bromothiophen-2-yl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 113455397
N-[1-(3-bromothiophen-2-yl)-2-(2-chlorophenyl)ethyl]propan-1-amine
CID 63798111
N-[1-(2-bromo-5-methoxyphenyl)-2-(4-bromothiophen-2-yl)ethyl]propan-1-amine
CID 105139266
1-(3-bromothiophen-2-yl)-N-propylbut-3-yn-1-amine
CID 114977322
N-[2-(4-bromothiophen-2-yl)-1-(5-chloro-2-methylphenyl)ethyl]propan-1-amine
CID 115847603
N-[1-(2-bromo-3-methylphenyl)-2-(4-bromothiophen-2-yl)ethyl]propan-1-amine
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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromothiophen-2-yl)-2-(4-bromothiophen-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(3-bromothiophen-2-yl)-2-(4-bromothiophen-2-yl)ethyl]propan-1-amine (CID 115847708) is N-[1-(3-bromothiophen-2-yl)-2-(4-bromothiophen-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-bromothiophen-2-yl)-2-(4-bromothiophen-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-bromothiophen-2-yl)-2-(4-bromothiophen-2-yl)ethyl]propan-1-amine is CCCNC(Cc1cc(Br)cs1)c1sccc1Br.
What is the InChIKey of N-[1-(3-bromothiophen-2-yl)-2-(4-bromothiophen-2-yl)ethyl]propan-1-amine?
The InChIKey is AMOHFVOJVOEZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Br2NS2/c1-2-4-16-12(13-11(15)3-5-17-13)7-10-6-9(14)8-18-10/h3,5-6,8,12,16H,2,4,7H2,1H3.
What are the key properties of N-[1-(3-bromothiophen-2-yl)-2-(4-bromothiophen-2-yl)ethyl]propan-1-amine?
N-[1-(3-bromothiophen-2-yl)-2-(4-bromothiophen-2-yl)ethyl]propan-1-amine has a molecular weight of 409.21 g/mol, XLogP of 5.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromothiophen-2-yl)-2-(4-bromothiophen-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 115847708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).