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

C14H16BrNOS — CID 55239918

IUPAC1-(3-bromothiophen-2-yl)-2-(2-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1ccccc1OC)c1sccc1Br
InChIInChI=1S/C14H16BrNOS/c1-16-12(14-11(15)7-8-18-14)9-10-5-3-4-6-13(10)17-2/h3-8,12,16H,9H2,1-2H3
InChIKeyQYYHJNPPMXHIBU-UHFFFAOYSA-N
MW326.26 g/mol
LogP4.02
Rot. Bonds5

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

1-(3-bromothiophen-2-yl)-2-(2-methoxyphenyl)-N-methylethanamine (PubChem CID 55239918) has the molecular formula C14H16BrNOS and a molecular weight of 326.26 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-2-(2-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-2-(2-methoxyphenyl)-N-methylethanamine
PubChem CID55239918
Molecular FormulaC14H16BrNOS
Molecular Weight326.26 g/mol
Exact Mass325.01
IUPAC Name1-(3-bromothiophen-2-yl)-2-(2-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1ccccc1OC)c1sccc1Br
InChIInChI=1S/C14H16BrNOS/c1-16-12(14-11(15)7-8-18-14)9-10-5-3-4-6-13(10)17-2/h3-8,12,16H,9H2,1-2H3
InChIKeyQYYHJNPPMXHIBU-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

Analyze 1-(3-bromothiophen-2-yl)-2-(2-methoxyphenyl)-N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chlorothiophen-2-yl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 80528966
2-(2-bromo-5-methoxyphenyl)-1-(3-bromothiophen-2-yl)-N-methylethanamine
CID 115862130
2-(2-chlorophenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine
CID 81122254
2-(2-fluoro-3-methoxyphenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine
CID 105035509
1-(3-bromo-4-methoxyphenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 43479915
1-(3-bromothiophen-2-yl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032294
1-(4-bromothiophen-2-yl)-3-(2-methoxyphenyl)-N-methylpropan-2-amine
CID 62601023
2-(2-bromophenyl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine
CID 115787080
2-(3-bromothiophen-2-yl)-2-(2-methoxyanilino)ethanol
CID 113298240
1-(2-bromo-6-fluorophenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 114559924
2-(5-bromo-2-methoxyphenyl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine
CID 115817250
1-(4-bromo-5-chloro-2-fluorophenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 105398790

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-2-(2-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-2-(2-methoxyphenyl)-N-methylethanamine (CID 55239918) is 1-(3-bromothiophen-2-yl)-2-(2-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-2-(2-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-2-(2-methoxyphenyl)-N-methylethanamine is CNC(Cc1ccccc1OC)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-2-(2-methoxyphenyl)-N-methylethanamine?
The InChIKey is QYYHJNPPMXHIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNOS/c1-16-12(14-11(15)7-8-18-14)9-10-5-3-4-6-13(10)17-2/h3-8,12,16H,9H2,1-2H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-2-(2-methoxyphenyl)-N-methylethanamine?
1-(3-bromothiophen-2-yl)-2-(2-methoxyphenyl)-N-methylethanamine 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 1-(3-bromothiophen-2-yl)-2-(2-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 55239918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).