N-[1-(5-bromothiophen-3-yl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine

C15H20BrNS2 — CID 105136104

IUPACN-[1-(5-bromothiophen-3-yl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(CC)s1)c1csc(Br)c1
InChIInChI=1S/C15H20BrNS2/c1-3-7-17-14(11-8-15(16)18-10-11)9-13-6-5-12(4-2)19-13/h5-6,8,10,14,17H,3-4,7,9H2,1-2H3
InChIKeyUVKOJFNSBGIVAV-UHFFFAOYSA-N
MW358.37 g/mol
LogP5.42
Rot. Bonds7

About N-[1-(5-bromothiophen-3-yl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine

N-[1-(5-bromothiophen-3-yl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine (PubChem CID 105136104) has the molecular formula C15H20BrNS2 and a molecular weight of 358.37 g/mol. Its IUPAC name is N-[1-(5-bromothiophen-3-yl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(5-bromothiophen-3-yl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
PubChem CID105136104
Molecular FormulaC15H20BrNS2
Molecular Weight358.37 g/mol
Exact Mass357.02
IUPAC NameN-[1-(5-bromothiophen-3-yl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(CC)s1)c1csc(Br)c1
InChIInChI=1S/C15H20BrNS2/c1-3-7-17-14(11-8-15(16)18-10-11)9-13-6-5-12(4-2)19-13/h5-6,8,10,14,17H,3-4,7,9H2,1-2H3
InChIKeyUVKOJFNSBGIVAV-UHFFFAOYSA-N
XLogP5.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.37
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,5-dichlorophenyl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 115842683
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CID 62605837
1-(5-bromothiophen-3-yl)-N-propylpent-3-yn-1-amine
CID 105112636
1-(5-bromothiophen-3-yl)-N-propylbut-3-yn-1-amine
CID 105077694
1-(5-bromothiophen-3-yl)-N-propyldecan-1-amine
CID 105124423
N-[1-(5-bromothiophen-3-yl)-2-propoxyethyl]propan-1-amine
CID 105165472
N-[2-(5-ethylthiophen-2-yl)-1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 115842479
1-(5-bromothiophen-3-yl)-3-phenyl-N-propylpropan-1-amine
CID 105094339
N-[1-(3-bromo-5-fluorophenyl)-2-(5-bromothiophen-2-yl)ethyl]propan-1-amine
CID 66425252
N-[2-(5-bromothiophen-2-yl)-1-(3-iodophenyl)ethyl]propan-1-amine
CID 115840948
N-[2-(5-bromothiophen-2-yl)-1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 62605864
N-[1-(5-bromothiophen-3-yl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethyl]propan-1-amine
CID 105159905

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromothiophen-3-yl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(5-bromothiophen-3-yl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine (CID 105136104) is N-[1-(5-bromothiophen-3-yl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(5-bromothiophen-3-yl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(5-bromothiophen-3-yl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine is CCCNC(Cc1ccc(CC)s1)c1csc(Br)c1.
What is the InChIKey of N-[1-(5-bromothiophen-3-yl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine?
The InChIKey is UVKOJFNSBGIVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNS2/c1-3-7-17-14(11-8-15(16)18-10-11)9-13-6-5-12(4-2)19-13/h5-6,8,10,14,17H,3-4,7,9H2,1-2H3.
What are the key properties of N-[1-(5-bromothiophen-3-yl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine?
N-[1-(5-bromothiophen-3-yl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine has a molecular weight of 358.37 g/mol, XLogP of 5.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromothiophen-3-yl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105136104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).