N-[(3-bromothiophen-2-yl)-(2,3-dimethylphenyl)methyl]ethanamine

C15H18BrNS — CID 80535905

IUPACN-[(3-bromothiophen-2-yl)-(2,3-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(C)c1C)c1sccc1Br
InChIInChI=1S/C15H18BrNS/c1-4-17-14(15-13(16)8-9-18-15)12-7-5-6-10(2)11(12)3/h5-9,14,17H,4H2,1-3H3
InChIKeyLGEKOYUOJWESFG-UHFFFAOYSA-N
MW324.29 g/mol
LogP4.83
Rot. Bonds4

About N-[(3-bromothiophen-2-yl)-(2,3-dimethylphenyl)methyl]ethanamine

N-[(3-bromothiophen-2-yl)-(2,3-dimethylphenyl)methyl]ethanamine (PubChem CID 80535905) has the molecular formula C15H18BrNS and a molecular weight of 324.29 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)-(2,3-dimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)-(2,3-dimethylphenyl)methyl]ethanamine
PubChem CID80535905
Molecular FormulaC15H18BrNS
Molecular Weight324.29 g/mol
Exact Mass323.03
IUPAC NameN-[(3-bromothiophen-2-yl)-(2,3-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(C)c1C)c1sccc1Br
InChIInChI=1S/C15H18BrNS/c1-4-17-14(15-13(16)8-9-18-15)12-7-5-6-10(2)11(12)3/h5-9,14,17H,4H2,1-3H3
InChIKeyLGEKOYUOJWESFG-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3-bromothiophen-2-yl)-(2,3-dimethylphenyl)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

Related Compounds

N-[(4-bromo-2-methylphenyl)-(3-bromothiophen-2-yl)methyl]ethanamine
CID 80535141
N-[(3-bromothiophen-2-yl)-[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 80536090
N-[(2,3-dimethylphenyl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 105140660
N-[(2,3-dimethylphenyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 81157055
N-[(3-bromothiophen-2-yl)-quinoxalin-5-ylmethyl]ethanamine
CID 105172958
N-[(3-bromothiophen-2-yl)-isoquinolin-8-ylmethyl]ethanamine
CID 103138016
N-[(3-bromothiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine
CID 105035892
N-[(3-bromo-4-methylphenyl)-(3-bromothiophen-2-yl)methyl]ethanamine
CID 81472376
N-[(5-bromo-4-methylthiophen-2-yl)-(3-bromothiophen-2-yl)methyl]ethanamine
CID 79991980
N-[(4-bromo-2-methylphenyl)-(2,3-dimethylphenyl)methyl]ethanamine
CID 115850255
N-[(3-bromothiophen-2-yl)-(5-chloro-2-fluorophenyl)methyl]ethanamine
CID 80535170
N-[(3-bromothiophen-2-yl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 79746478

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)-(2,3-dimethylphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-bromothiophen-2-yl)-(2,3-dimethylphenyl)methyl]ethanamine (CID 80535905) is N-[(3-bromothiophen-2-yl)-(2,3-dimethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)-(2,3-dimethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-bromothiophen-2-yl)-(2,3-dimethylphenyl)methyl]ethanamine is CCNC(c1cccc(C)c1C)c1sccc1Br.
What is the InChIKey of N-[(3-bromothiophen-2-yl)-(2,3-dimethylphenyl)methyl]ethanamine?
The InChIKey is LGEKOYUOJWESFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNS/c1-4-17-14(15-13(16)8-9-18-15)12-7-5-6-10(2)11(12)3/h5-9,14,17H,4H2,1-3H3.
What are the key properties of N-[(3-bromothiophen-2-yl)-(2,3-dimethylphenyl)methyl]ethanamine?
N-[(3-bromothiophen-2-yl)-(2,3-dimethylphenyl)methyl]ethanamine has a molecular weight of 324.29 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)-(2,3-dimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 80535905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).