1-(3-bromothiophen-2-yl)-N-[(4-methoxyphenyl)methyl]ethanamine

C14H16BrNOS — CID 43760063

IUPAC1-(3-bromothiophen-2-yl)-N-[(4-methoxyphenyl)methyl]ethanamine
SMILESCOc1ccc(CNC(C)c2sccc2Br)cc1
InChIInChI=1S/C14H16BrNOS/c1-10(14-13(15)7-8-18-14)16-9-11-3-5-12(17-2)6-4-11/h3-8,10,16H,9H2,1-2H3
InChIKeyBUVVETPJNROLHK-UHFFFAOYSA-N
MW326.26 g/mol
LogP4.37
Rot. Bonds5

About 1-(3-bromothiophen-2-yl)-N-[(4-methoxyphenyl)methyl]ethanamine

1-(3-bromothiophen-2-yl)-N-[(4-methoxyphenyl)methyl]ethanamine (PubChem CID 43760063) has the molecular formula C14H16BrNOS and a molecular weight of 326.26 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-N-[(4-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-N-[(4-methoxyphenyl)methyl]ethanamine
PubChem CID43760063
Molecular FormulaC14H16BrNOS
Molecular Weight326.26 g/mol
Exact Mass325.01
IUPAC Name1-(3-bromothiophen-2-yl)-N-[(4-methoxyphenyl)methyl]ethanamine
SMILESCOc1ccc(CNC(C)c2sccc2Br)cc1
InChIInChI=1S/C14H16BrNOS/c1-10(14-13(15)7-8-18-14)16-9-11-3-5-12(17-2)6-4-11/h3-8,10,16H,9H2,1-2H3
InChIKeyBUVVETPJNROLHK-UHFFFAOYSA-N
XLogP4.37
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 ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-bromothiophen-2-yl)-N-[(4-methoxyphenyl)methyl]ethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-N-[(4-methoxyphenyl)methyl]ethanamine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-N-[(4-methoxyphenyl)methyl]ethanamine (CID 43760063) is 1-(3-bromothiophen-2-yl)-N-[(4-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-N-[(4-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-N-[(4-methoxyphenyl)methyl]ethanamine is COc1ccc(CNC(C)c2sccc2Br)cc1.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-N-[(4-methoxyphenyl)methyl]ethanamine?
The InChIKey is BUVVETPJNROLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNOS/c1-10(14-13(15)7-8-18-14)16-9-11-3-5-12(17-2)6-4-11/h3-8,10,16H,9H2,1-2H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-N-[(4-methoxyphenyl)methyl]ethanamine?
1-(3-bromothiophen-2-yl)-N-[(4-methoxyphenyl)methyl]ethanamine has a molecular weight of 326.26 g/mol, XLogP of 4.37, 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)-N-[(4-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 43760063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).