2-(3-bromo-4-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)ethanamine

C17H20BrNOS — CID 115818212

IUPAC2-(3-bromo-4-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)ethanamine
SMILESCNC(Cc1ccc(OC)c(Br)c1)c1ccccc1SC
InChIInChI=1S/C17H20BrNOS/c1-19-15(13-6-4-5-7-17(13)21-3)11-12-8-9-16(20-2)14(18)10-12/h4-10,15,19H,11H2,1-3H3
InChIKeyRGLKLPKZWLXVCN-UHFFFAOYSA-N
MW366.32 g/mol
LogP4.68
Rot. Bonds6

About 2-(3-bromo-4-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)ethanamine

2-(3-bromo-4-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)ethanamine (PubChem CID 115818212) has the molecular formula C17H20BrNOS and a molecular weight of 366.32 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)ethanamine
PubChem CID115818212
Molecular FormulaC17H20BrNOS
Molecular Weight366.32 g/mol
Exact Mass365.04
IUPAC Name2-(3-bromo-4-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)ethanamine
SMILESCNC(Cc1ccc(OC)c(Br)c1)c1ccccc1SC
InChIInChI=1S/C17H20BrNOS/c1-19-15(13-6-4-5-7-17(13)21-3)11-12-8-9-16(20-2)14(18)10-12/h4-10,15,19H,11H2,1-3H3
InChIKeyRGLKLPKZWLXVCN-UHFFFAOYSA-N
XLogP4.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.32
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-bromo-4-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)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

1-(3-bromo-2-fluorophenyl)-2-(3-bromo-4-methoxyphenyl)-N-methylethanamine
CID 107952546
2-(3-bromo-4-methoxyphenyl)-1-(2,5-dibromophenyl)-N-methylethanamine
CID 115818264
2-(3-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)ethanamine
CID 79217018
2-(3-bromo-4-methoxyphenyl)-1-(2,5-difluorophenyl)-N-methylethanamine
CID 63673603
2-(3-bromo-4-methoxyphenyl)-1-(2,6-dichlorophenyl)-N-methylethanamine
CID 115818010
2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)ethanamine
CID 115845077
2-(3-bromo-4-fluorophenyl)-1-(3-bromo-4-methoxyphenyl)-N-methylethanamine
CID 115818823
2-(4-bromophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylethanamine
CID 43485689
1-(2,5-dibromophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 115830032
1-(3-bromo-4-methoxyphenyl)-N-methyl-3-phenylsulfanylpropan-2-amine
CID 65143473
2-(3-bromo-4-fluorophenyl)-1-(2-ethoxyphenyl)-N-methylethanamine
CID 115533807
2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-4-methylthiophen-2-yl)-N-methylethanamine
CID 103405383

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)ethanamine?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)ethanamine (CID 115818212) is 2-(3-bromo-4-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)ethanamine.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)ethanamine?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)ethanamine is CNC(Cc1ccc(OC)c(Br)c1)c1ccccc1SC.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)ethanamine?
The InChIKey is RGLKLPKZWLXVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNOS/c1-19-15(13-6-4-5-7-17(13)21-3)11-12-8-9-16(20-2)14(18)10-12/h4-10,15,19H,11H2,1-3H3.
What are the key properties of 2-(3-bromo-4-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)ethanamine?
2-(3-bromo-4-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)ethanamine has a molecular weight of 366.32 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)ethanamine is sourced from PubChem (CID 115818212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).