2-(4-bromothiophen-2-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine

C13H16BrNS2 — CID 115848003

IUPAC2-(4-bromothiophen-2-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
SMILESCCNC(Cc1cc(Br)cs1)c1ccc(C)s1
InChIInChI=1S/C13H16BrNS2/c1-3-15-12(13-5-4-9(2)17-13)7-11-6-10(14)8-16-11/h4-6,8,12,15H,3,7H2,1-2H3
InChIKeyMELGVKVZMVACFO-UHFFFAOYSA-N
MW330.32 g/mol
LogP4.77
Rot. Bonds5

About 2-(4-bromothiophen-2-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine

2-(4-bromothiophen-2-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine (PubChem CID 115848003) has the molecular formula C13H16BrNS2 and a molecular weight of 330.32 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
PubChem CID115848003
Molecular FormulaC13H16BrNS2
Molecular Weight330.32 g/mol
Exact Mass328.99
IUPAC Name2-(4-bromothiophen-2-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
SMILESCCNC(Cc1cc(Br)cs1)c1ccc(C)s1
InChIInChI=1S/C13H16BrNS2/c1-3-15-12(13-5-4-9(2)17-13)7-11-6-10(14)8-16-11/h4-6,8,12,15H,3,7H2,1-2H3
InChIKeyMELGVKVZMVACFO-UHFFFAOYSA-N
XLogP4.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzothiophen-2-yl)-2-(4-bromothiophen-2-yl)-N-ethylethanamine
CID 115847850
2-(4-bromothiophen-2-yl)-N-ethyl-1-(5-fluoro-1-benzothiophen-2-yl)ethanamine
CID 105139333
2-(4-bromothiophen-2-yl)-N-ethyl-1-(4-fluoro-3-methylphenyl)ethanamine
CID 55186994
1-(4-bromo-3-fluorophenyl)-2-(4-bromothiophen-2-yl)-N-ethylethanamine
CID 115848019
2-(4-bromothiophen-2-yl)-N-ethyl-1-(5-methylpyrazin-2-yl)ethanamine
CID 105139331
2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 115862379
N,3-diethyl-1-(5-methylthiophen-2-yl)pentan-1-amine
CID 105028432
2-(1-benzothiophen-3-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 115824043
1-(7-bromo-1-benzofuran-2-yl)-2-(4-bromothiophen-2-yl)-N-ethylethanamine
CID 105139336
2-(4-bromothiophen-2-yl)-1-(2,3-dimethoxyphenyl)-N-ethylethanamine
CID 105139259
N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-methylthiophen-2-yl)ethanamine
CID 105002857
2-(4-bromo-1,3-diethylpyrazol-5-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 105002467

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine?
The IUPAC name of 2-(4-bromothiophen-2-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine (CID 115848003) is 2-(4-bromothiophen-2-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine is CCNC(Cc1cc(Br)cs1)c1ccc(C)s1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine?
The InChIKey is MELGVKVZMVACFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNS2/c1-3-15-12(13-5-4-9(2)17-13)7-11-6-10(14)8-16-11/h4-6,8,12,15H,3,7H2,1-2H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine?
2-(4-bromothiophen-2-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine has a molecular weight of 330.32 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 115848003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).