2-(4-bromophenyl)sulfanyl-1-(3,5-dimethylphenyl)-N-methylethanamine

C17H20BrNS — CID 66056292

IUPAC2-(4-bromophenyl)sulfanyl-1-(3,5-dimethylphenyl)-N-methylethanamine
SMILESCNC(CSc1ccc(Br)cc1)c1cc(C)cc(C)c1
InChIInChI=1S/C17H20BrNS/c1-12-8-13(2)10-14(9-12)17(19-3)11-20-16-6-4-15(18)5-7-16/h4-10,17,19H,11H2,1-3H3
InChIKeyKUSPPIXOCDEXHS-UHFFFAOYSA-N
MW350.33 g/mol
LogP5.12
Rot. Bonds5

About 2-(4-bromophenyl)sulfanyl-1-(3,5-dimethylphenyl)-N-methylethanamine

2-(4-bromophenyl)sulfanyl-1-(3,5-dimethylphenyl)-N-methylethanamine (PubChem CID 66056292) has the molecular formula C17H20BrNS and a molecular weight of 350.33 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-1-(3,5-dimethylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-1-(3,5-dimethylphenyl)-N-methylethanamine
PubChem CID66056292
Molecular FormulaC17H20BrNS
Molecular Weight350.33 g/mol
Exact Mass349.05
IUPAC Name2-(4-bromophenyl)sulfanyl-1-(3,5-dimethylphenyl)-N-methylethanamine
SMILESCNC(CSc1ccc(Br)cc1)c1cc(C)cc(C)c1
InChIInChI=1S/C17H20BrNS/c1-12-8-13(2)10-14(9-12)17(19-3)11-20-16-6-4-15(18)5-7-16/h4-10,17,19H,11H2,1-3H3
InChIKeyKUSPPIXOCDEXHS-UHFFFAOYSA-N
XLogP5.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.33
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromophenyl)sulfanyl-1-(3,5-dimethylphenyl)-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

2-(4-bromophenyl)sulfanyl-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 66057090
2-(4-bromophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine
CID 63413113
2-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)-N-methylethanamine
CID 66055898
2-(4-bromophenyl)sulfanyl-1-(3-chlorophenyl)-N-methylethanamine
CID 66054713
2-(3-bromophenyl)sulfanyl-1-(3-fluoro-5-methylphenyl)-N-methylethanamine
CID 79703608
2-(4-fluorophenyl)sulfanyl-N-methyl-1-(3-methylphenyl)ethanamine
CID 64620706
1-(4-bromo-1-methylpyrazol-5-yl)-2-(4-bromophenyl)sulfanyl-N-methylethanamine
CID 114656027
2-(3-bromophenyl)sulfanyl-N-methyl-1-phenylethanamine
CID 64632010
2-(3-bromophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine
CID 55185855
(2S)-2-(3-bromo-5-methylphenyl)-2-(methylamino)ethanol
CID 130641805
1-(4-bromophenyl)sulfanyl-3-(2,4,6-trimethylphenyl)propan-2-ol
CID 66056671
2-(4-chlorophenyl)sulfanyl-1-(2-fluoro-4,6-dimethylphenyl)-N-methylethanamine
CID 106881691

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-1-(3,5-dimethylphenyl)-N-methylethanamine?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-1-(3,5-dimethylphenyl)-N-methylethanamine (CID 66056292) is 2-(4-bromophenyl)sulfanyl-1-(3,5-dimethylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-1-(3,5-dimethylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-1-(3,5-dimethylphenyl)-N-methylethanamine is CNC(CSc1ccc(Br)cc1)c1cc(C)cc(C)c1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-1-(3,5-dimethylphenyl)-N-methylethanamine?
The InChIKey is KUSPPIXOCDEXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNS/c1-12-8-13(2)10-14(9-12)17(19-3)11-20-16-6-4-15(18)5-7-16/h4-10,17,19H,11H2,1-3H3.
What are the key properties of 2-(4-bromophenyl)sulfanyl-1-(3,5-dimethylphenyl)-N-methylethanamine?
2-(4-bromophenyl)sulfanyl-1-(3,5-dimethylphenyl)-N-methylethanamine has a molecular weight of 350.33 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-1-(3,5-dimethylphenyl)-N-methylethanamine is sourced from PubChem (CID 66056292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).