2-(5-bromothiophen-2-yl)-1-(3-methoxythiophen-2-yl)ethanamine

C11H12BrNOS2 — CID 115840988

IUPAC2-(5-bromothiophen-2-yl)-1-(3-methoxythiophen-2-yl)ethanamine
SMILESCOc1ccsc1C(N)Cc1ccc(Br)s1
InChIInChI=1S/C11H12BrNOS2/c1-14-9-4-5-15-11(9)8(13)6-7-2-3-10(12)16-7/h2-5,8H,6,13H2,1H3
InChIKeyHTGYWBWMTSIMFT-UHFFFAOYSA-N
MW318.26 g/mol
LogP3.82
Rot. Bonds4

About 2-(5-bromothiophen-2-yl)-1-(3-methoxythiophen-2-yl)ethanamine

2-(5-bromothiophen-2-yl)-1-(3-methoxythiophen-2-yl)ethanamine (PubChem CID 115840988) has the molecular formula C11H12BrNOS2 and a molecular weight of 318.26 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1-(3-methoxythiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1-(3-methoxythiophen-2-yl)ethanamine
PubChem CID115840988
Molecular FormulaC11H12BrNOS2
Molecular Weight318.26 g/mol
Exact Mass316.95
IUPAC Name2-(5-bromothiophen-2-yl)-1-(3-methoxythiophen-2-yl)ethanamine
SMILESCOc1ccsc1C(N)Cc1ccc(Br)s1
InChIInChI=1S/C11H12BrNOS2/c1-14-9-4-5-15-11(9)8(13)6-7-2-3-10(12)16-7/h2-5,8H,6,13H2,1H3
InChIKeyHTGYWBWMTSIMFT-UHFFFAOYSA-N
XLogP3.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.26
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromothiophen-2-yl)-1-(3-methoxythiophen-2-yl)ethanol
CID 115785760
2-(2-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethanamine
CID 81121905
2-bromo-5-[bromo-(3-methoxythiophen-2-yl)methyl]thiophene
CID 81124929
2-(2-chloro-5-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethanamine
CID 102622497
2-(2-chloro-4-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethanamine
CID 115840443
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3-methoxythiophen-2-yl)ethanamine
CID 104998127
4,4,4-trifluoro-1-(3-methoxythiophen-2-yl)butan-1-amine
CID 104992725
2-(5-bromothiophen-2-yl)-1-(4-methylphenyl)ethanamine
CID 62607190
2-(5-chlorothiophen-2-yl)-1-(3-methoxythiophen-2-yl)ethanol
CID 115786008
[2-(5-bromothiophen-2-yl)-1-(2-methoxyphenyl)ethyl]hydrazine
CID 105191030
1-(5-bromothiophen-2-yl)butan-2-amine
CID 43565983
2-ethyl-1-(3-methoxythiophen-2-yl)butan-1-amine
CID 105013840

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-1-(3-methoxythiophen-2-yl)ethanamine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1-(3-methoxythiophen-2-yl)ethanamine (CID 115840988) is 2-(5-bromothiophen-2-yl)-1-(3-methoxythiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1-(3-methoxythiophen-2-yl)ethanamine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1-(3-methoxythiophen-2-yl)ethanamine is COc1ccsc1C(N)Cc1ccc(Br)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1-(3-methoxythiophen-2-yl)ethanamine?
The InChIKey is HTGYWBWMTSIMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNOS2/c1-14-9-4-5-15-11(9)8(13)6-7-2-3-10(12)16-7/h2-5,8H,6,13H2,1H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-1-(3-methoxythiophen-2-yl)ethanamine?
2-(5-bromothiophen-2-yl)-1-(3-methoxythiophen-2-yl)ethanamine has a molecular weight of 318.26 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-1-(3-methoxythiophen-2-yl)ethanamine is sourced from PubChem (CID 115840988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).