2-(2-bromo-5-methoxyphenyl)-1-(3-bromothiophen-2-yl)-N-methylethanamine

C14H15Br2NOS — CID 115862130

IUPAC2-(2-bromo-5-methoxyphenyl)-1-(3-bromothiophen-2-yl)-N-methylethanamine
SMILESCNC(Cc1cc(OC)ccc1Br)c1sccc1Br
InChIInChI=1S/C14H15Br2NOS/c1-17-13(14-12(16)5-6-19-14)8-9-7-10(18-2)3-4-11(9)15/h3-7,13,17H,8H2,1-2H3
InChIKeyNPVHTYAJIJIOSF-UHFFFAOYSA-N
MW405.16 g/mol
LogP4.78
Rot. Bonds5

About 2-(2-bromo-5-methoxyphenyl)-1-(3-bromothiophen-2-yl)-N-methylethanamine

2-(2-bromo-5-methoxyphenyl)-1-(3-bromothiophen-2-yl)-N-methylethanamine (PubChem CID 115862130) has the molecular formula C14H15Br2NOS and a molecular weight of 405.16 g/mol. Its IUPAC name is 2-(2-bromo-5-methoxyphenyl)-1-(3-bromothiophen-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-bromo-5-methoxyphenyl)-1-(3-bromothiophen-2-yl)-N-methylethanamine
PubChem CID115862130
Molecular FormulaC14H15Br2NOS
Molecular Weight405.16 g/mol
Exact Mass402.92
IUPAC Name2-(2-bromo-5-methoxyphenyl)-1-(3-bromothiophen-2-yl)-N-methylethanamine
SMILESCNC(Cc1cc(OC)ccc1Br)c1sccc1Br
InChIInChI=1S/C14H15Br2NOS/c1-17-13(14-12(16)5-6-19-14)8-9-7-10(18-2)3-4-11(9)15/h3-7,13,17H,8H2,1-2H3
InChIKeyNPVHTYAJIJIOSF-UHFFFAOYSA-N
XLogP4.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.16
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-5-methoxyphenyl)-N-methyl-1-thiophen-2-ylethanamine
CID 65325546
1-(3-bromothiophen-2-yl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 55239918
2-(2-bromo-5-methoxyphenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 65325112
2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromophenyl)-N-methylethanamine
CID 115862414
2-(2-bromo-5-methoxyphenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 65325450
4-methoxy-2-[2-(methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline
CID 22414391
2-(2-bromo-5-methoxyphenyl)-1-(3-methylthiophen-2-yl)ethanol
CID 65327412
2-(2-bromo-5-methoxyphenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
CID 105150939
2-(2-bromo-5-methoxyphenyl)-1-(3-ethylthiophen-2-yl)ethanamine
CID 115862188
1-(2-bromo-5-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 65325611
2-(2-bromo-5-methoxyphenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 65363361
2-(2-bromo-5-methoxyphenyl)-1-(2-bromo-3-methylphenyl)-N-methylethanamine
CID 107985010

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(3-bromothiophen-2-yl)-N-methylethanamine?
The IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(3-bromothiophen-2-yl)-N-methylethanamine (CID 115862130) is 2-(2-bromo-5-methoxyphenyl)-1-(3-bromothiophen-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(2-bromo-5-methoxyphenyl)-1-(3-bromothiophen-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(2-bromo-5-methoxyphenyl)-1-(3-bromothiophen-2-yl)-N-methylethanamine is CNC(Cc1cc(OC)ccc1Br)c1sccc1Br.
What is the InChIKey of 2-(2-bromo-5-methoxyphenyl)-1-(3-bromothiophen-2-yl)-N-methylethanamine?
The InChIKey is NPVHTYAJIJIOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2NOS/c1-17-13(14-12(16)5-6-19-14)8-9-7-10(18-2)3-4-11(9)15/h3-7,13,17H,8H2,1-2H3.
What are the key properties of 2-(2-bromo-5-methoxyphenyl)-1-(3-bromothiophen-2-yl)-N-methylethanamine?
2-(2-bromo-5-methoxyphenyl)-1-(3-bromothiophen-2-yl)-N-methylethanamine has a molecular weight of 405.16 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-methoxyphenyl)-1-(3-bromothiophen-2-yl)-N-methylethanamine is sourced from PubChem (CID 115862130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).