2-(2-bromo-5-methoxyphenyl)-N-methyl-1-thiophen-2-ylethanamine

C14H16BrNOS — CID 65325546

IUPAC2-(2-bromo-5-methoxyphenyl)-N-methyl-1-thiophen-2-ylethanamine
SMILESCNC(Cc1cc(OC)ccc1Br)c1cccs1
InChIInChI=1S/C14H16BrNOS/c1-16-13(14-4-3-7-18-14)9-10-8-11(17-2)5-6-12(10)15/h3-8,13,16H,9H2,1-2H3
InChIKeyGKNHBUAYKCIAMS-UHFFFAOYSA-N
MW326.26 g/mol
LogP4.02
Rot. Bonds5

About 2-(2-bromo-5-methoxyphenyl)-N-methyl-1-thiophen-2-ylethanamine

2-(2-bromo-5-methoxyphenyl)-N-methyl-1-thiophen-2-ylethanamine (PubChem CID 65325546) has the molecular formula C14H16BrNOS and a molecular weight of 326.26 g/mol. Its IUPAC name is 2-(2-bromo-5-methoxyphenyl)-N-methyl-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name2-(2-bromo-5-methoxyphenyl)-N-methyl-1-thiophen-2-ylethanamine
PubChem CID65325546
Molecular FormulaC14H16BrNOS
Molecular Weight326.26 g/mol
Exact Mass325.01
IUPAC Name2-(2-bromo-5-methoxyphenyl)-N-methyl-1-thiophen-2-ylethanamine
SMILESCNC(Cc1cc(OC)ccc1Br)c1cccs1
InChIInChI=1S/C14H16BrNOS/c1-16-13(14-4-3-7-18-14)9-10-8-11(17-2)5-6-12(10)15/h3-8,13,16H,9H2,1-2H3
InChIKeyGKNHBUAYKCIAMS-UHFFFAOYSA-N
XLogP4.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-5-methoxyphenyl)-1-(3-bromothiophen-2-yl)-N-methylethanamine
CID 115862130
2-(2-bromophenyl)-N-methyl-1-thiophen-2-ylethanamine
CID 60818795
2-(2-bromo-5-methoxyphenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 65325112
2-(2-bromo-5-methoxyphenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 65325450
2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromophenyl)-N-methylethanamine
CID 115862414
2-(2-bromo-5-methoxyphenyl)-1-(2-bromo-3-methylphenyl)-N-methylethanamine
CID 107985010
2-(2-bromo-5-methoxyphenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
CID 105150939
1-(2-bromo-5-methoxyphenyl)-N-ethyl-3-thiophen-2-ylpropan-2-amine
CID 65325080
2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-thiophen-2-ylethanamine
CID 104793741
2-(2-bromo-5-methoxyphenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 65363361
2-(2-bromo-5-methoxyphenyl)-1-(4-bromothiophen-2-yl)-N-ethylethanamine
CID 65325618
2-(2-bromo-5-methoxyphenyl)-1-(5-chloro-2-methylphenyl)-N-methylethanamine
CID 115862271

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methoxyphenyl)-N-methyl-1-thiophen-2-ylethanamine?
The IUPAC name of 2-(2-bromo-5-methoxyphenyl)-N-methyl-1-thiophen-2-ylethanamine (CID 65325546) is 2-(2-bromo-5-methoxyphenyl)-N-methyl-1-thiophen-2-ylethanamine.
What is the SMILES notation for 2-(2-bromo-5-methoxyphenyl)-N-methyl-1-thiophen-2-ylethanamine?
The canonical SMILES for 2-(2-bromo-5-methoxyphenyl)-N-methyl-1-thiophen-2-ylethanamine is CNC(Cc1cc(OC)ccc1Br)c1cccs1.
What is the InChIKey of 2-(2-bromo-5-methoxyphenyl)-N-methyl-1-thiophen-2-ylethanamine?
The InChIKey is GKNHBUAYKCIAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNOS/c1-16-13(14-4-3-7-18-14)9-10-8-11(17-2)5-6-12(10)15/h3-8,13,16H,9H2,1-2H3.
What are the key properties of 2-(2-bromo-5-methoxyphenyl)-N-methyl-1-thiophen-2-ylethanamine?
2-(2-bromo-5-methoxyphenyl)-N-methyl-1-thiophen-2-ylethanamine has a molecular weight of 326.26 g/mol, XLogP of 4.02, 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)-N-methyl-1-thiophen-2-ylethanamine is sourced from PubChem (CID 65325546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).