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

C15H18BrNOS — CID 107167096

IUPAC1-(4-bromothiophen-2-yl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine
SMILESCOc1ccc(CCNC(C)c2cc(Br)cs2)cc1
InChIInChI=1S/C15H18BrNOS/c1-11(15-9-13(16)10-19-15)17-8-7-12-3-5-14(18-2)6-4-12/h3-6,9-11,17H,7-8H2,1-2H3
InChIKeyOXEGURIDASGQSJ-UHFFFAOYSA-N
MW340.29 g/mol
LogP4.41
Rot. Bonds6

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

1-(4-bromothiophen-2-yl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine (PubChem CID 107167096) has the molecular formula C15H18BrNOS and a molecular weight of 340.29 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine
PubChem CID107167096
Molecular FormulaC15H18BrNOS
Molecular Weight340.29 g/mol
Exact Mass339.03
IUPAC Name1-(4-bromothiophen-2-yl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine
SMILESCOc1ccc(CCNC(C)c2cc(Br)cs2)cc1
InChIInChI=1S/C15H18BrNOS/c1-11(15-9-13(16)10-19-15)17-8-7-12-3-5-14(18-2)6-4-12/h3-6,9-11,17H,7-8H2,1-2H3
InChIKeyOXEGURIDASGQSJ-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

1-(4-bromo-2-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine
CID 82964700
1-(4-bromothiophen-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 107167168
1-(4-bromothiophen-2-yl)-N-[2-(2-fluorophenyl)ethyl]ethanamine
CID 107353847
1-(3,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine
CID 43099095
N-[1-(4-bromothiophen-2-yl)ethyl]-2,5-dimethoxyaniline
CID 107167769
(2S)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962702
(2R)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962704
N-[2-(4-methoxyphenyl)ethyl]butan-2-amine
CID 43178051
N-[1-(4-bromothiophen-2-yl)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 107167150
1-(furan-2-yl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine
CID 43178043
1-(4-bromothiophen-2-yl)-N-(2-methylsulfonylethyl)ethanamine
CID 107167355
N-[2-(4-methoxyphenyl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine
CID 102612221

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine (CID 107167096) is 1-(4-bromothiophen-2-yl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine is COc1ccc(CCNC(C)c2cc(Br)cs2)cc1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine?
The InChIKey is OXEGURIDASGQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNOS/c1-11(15-9-13(16)10-19-15)17-8-7-12-3-5-14(18-2)6-4-12/h3-6,9-11,17H,7-8H2,1-2H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine?
1-(4-bromothiophen-2-yl)-N-[2-(4-methoxyphenyl)ethyl]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-(4-bromothiophen-2-yl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine is sourced from PubChem (CID 107167096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).