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

C14H18BrNOS2 — CID 115841074

IUPACN-[2-(5-bromothiophen-2-yl)-1-(4-methoxythiophen-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Br)s1)c1cc(OC)cs1
InChIInChI=1S/C14H18BrNOS2/c1-3-6-16-12(8-11-4-5-14(15)19-11)13-7-10(17-2)9-18-13/h4-5,7,9,12,16H,3,6,8H2,1-2H3
InChIKeyJSQZUJBYBICLLG-UHFFFAOYSA-N
MW360.34 g/mol
LogP4.86
Rot. Bonds7

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

N-[2-(5-bromothiophen-2-yl)-1-(4-methoxythiophen-2-yl)ethyl]propan-1-amine (PubChem CID 115841074) has the molecular formula C14H18BrNOS2 and a molecular weight of 360.34 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)-1-(4-methoxythiophen-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)-1-(4-methoxythiophen-2-yl)ethyl]propan-1-amine
PubChem CID115841074
Molecular FormulaC14H18BrNOS2
Molecular Weight360.34 g/mol
Exact Mass359.00
IUPAC NameN-[2-(5-bromothiophen-2-yl)-1-(4-methoxythiophen-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Br)s1)c1cc(OC)cs1
InChIInChI=1S/C14H18BrNOS2/c1-3-6-16-12(8-11-4-5-14(15)19-11)13-7-10(17-2)9-18-13/h4-5,7,9,12,16H,3,6,8H2,1-2H3
InChIKeyJSQZUJBYBICLLG-UHFFFAOYSA-N
XLogP4.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-bromothiophen-2-yl)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 62605837
N-[2-(5-bromothiophen-2-yl)-1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 62605864
N-[2-(2,5-dimethylphenyl)-1-(4-methoxythiophen-2-yl)ethyl]propan-1-amine
CID 81122534
N-[2-(5-bromothiophen-2-yl)-1-(2-fluoro-4-methoxyphenyl)ethyl]propan-1-amine
CID 81302393
N-[2-(2-bromo-5-methoxyphenyl)-1-(5-bromothiophen-2-yl)ethyl]propan-1-amine
CID 65325570
1-(4-methoxythiophen-2-yl)-N-propylpent-4-yn-1-amine
CID 115859366
N-[1-(4-methoxythiophen-2-yl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 81123059
4-methoxy-1-(4-methoxythiophen-2-yl)-N-propylbutan-1-amine
CID 105054949
N-[2-(5-bromothiophen-2-yl)-1-(2,4-dibromophenyl)ethyl]propan-1-amine
CID 107945453
N-[2-(5-bromothiophen-2-yl)-1-(3-methoxy-4-pyridinyl)ethyl]propan-1-amine
CID 105065400
N-[2-(4-bromothiophen-2-yl)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 62606210
N-[1-(5-bromothiophen-3-yl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 105136104

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)-1-(4-methoxythiophen-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)-1-(4-methoxythiophen-2-yl)ethyl]propan-1-amine (CID 115841074) is N-[2-(5-bromothiophen-2-yl)-1-(4-methoxythiophen-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)-1-(4-methoxythiophen-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)-1-(4-methoxythiophen-2-yl)ethyl]propan-1-amine is CCCNC(Cc1ccc(Br)s1)c1cc(OC)cs1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)-1-(4-methoxythiophen-2-yl)ethyl]propan-1-amine?
The InChIKey is JSQZUJBYBICLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNOS2/c1-3-6-16-12(8-11-4-5-14(15)19-11)13-7-10(17-2)9-18-13/h4-5,7,9,12,16H,3,6,8H2,1-2H3.
What are the key properties of N-[2-(5-bromothiophen-2-yl)-1-(4-methoxythiophen-2-yl)ethyl]propan-1-amine?
N-[2-(5-bromothiophen-2-yl)-1-(4-methoxythiophen-2-yl)ethyl]propan-1-amine has a molecular weight of 360.34 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)-1-(4-methoxythiophen-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 115841074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).