1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine

C15H18BrNOS — CID 55239729

IUPAC1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
SMILESCCNC(Cc1ccc(OC)cc1)c1sccc1Br
InChIInChI=1S/C15H18BrNOS/c1-3-17-14(15-13(16)8-9-19-15)10-11-4-6-12(18-2)7-5-11/h4-9,14,17H,3,10H2,1-2H3
InChIKeyAPBSKNXFHKOUSG-UHFFFAOYSA-N
MW340.29 g/mol
LogP4.41
Rot. Bonds6

About 1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine

1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine (PubChem CID 55239729) has the molecular formula C15H18BrNOS and a molecular weight of 340.29 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
PubChem CID55239729
Molecular FormulaC15H18BrNOS
Molecular Weight340.29 g/mol
Exact Mass339.03
IUPAC Name1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
SMILESCCNC(Cc1ccc(OC)cc1)c1sccc1Br
InChIInChI=1S/C15H18BrNOS/c1-3-17-14(15-13(16)8-9-19-15)10-11-4-6-12(18-2)7-5-11/h4-9,14,17H,3,10H2,1-2H3
InChIKeyAPBSKNXFHKOUSG-UHFFFAOYSA-N
XLogP4.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine
CID 63797423
[1-(3-bromothiophen-2-yl)-2-(4-methoxyphenyl)ethyl]hydrazine
CID 105205541
1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-propan-2-ylphenyl)ethanamine
CID 115844263
1-(3-bromothiophen-2-yl)-N-ethyl-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115829741
1-(3-bromothiophen-2-yl)-2-(4-methoxyphenyl)ethanol
CID 63799484
[1-(3-bromothiophen-2-yl)-3-(4-methoxyphenyl)propyl]hydrazine
CID 105310605
2-(5-bromo-2-methoxyphenyl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine
CID 115817250
N-[1-(3-chlorothiophen-2-yl)-2-(4-methoxyphenyl)ethyl]propan-1-amine
CID 80529320
1-(3-bromothiophen-2-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
CID 103028722
1-(3,5-dibromophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 107980644
1-(3,5-dimethylthiophen-2-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 81156548
1-(3-bromothiophen-2-yl)-N-ethyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 115828971

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine (CID 55239729) is 1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine is CCNC(Cc1ccc(OC)cc1)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine?
The InChIKey is APBSKNXFHKOUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNOS/c1-3-17-14(15-13(16)8-9-19-15)10-11-4-6-12(18-2)7-5-11/h4-9,14,17H,3,10H2,1-2H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine?
1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine has a molecular weight of 340.29 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 55239729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).