2-(2-bromophenyl)sulfanyl-1-(2,4-difluorophenyl)-N-methylethanamine

C15H14BrF2NS — CID 66143100

IUPAC2-(2-bromophenyl)sulfanyl-1-(2,4-difluorophenyl)-N-methylethanamine
SMILESCNC(CSc1ccccc1Br)c1ccc(F)cc1F
InChIInChI=1S/C15H14BrF2NS/c1-19-14(11-7-6-10(17)8-13(11)18)9-20-15-5-3-2-4-12(15)16/h2-8,14,19H,9H2,1H3
InChIKeyJRVAWSRVZKCMSY-UHFFFAOYSA-N
MW358.25 g/mol
LogP4.78
Rot. Bonds5

About 2-(2-bromophenyl)sulfanyl-1-(2,4-difluorophenyl)-N-methylethanamine

2-(2-bromophenyl)sulfanyl-1-(2,4-difluorophenyl)-N-methylethanamine (PubChem CID 66143100) has the molecular formula C15H14BrF2NS and a molecular weight of 358.25 g/mol. Its IUPAC name is 2-(2-bromophenyl)sulfanyl-1-(2,4-difluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)sulfanyl-1-(2,4-difluorophenyl)-N-methylethanamine
PubChem CID66143100
Molecular FormulaC15H14BrF2NS
Molecular Weight358.25 g/mol
Exact Mass357.00
IUPAC Name2-(2-bromophenyl)sulfanyl-1-(2,4-difluorophenyl)-N-methylethanamine
SMILESCNC(CSc1ccccc1Br)c1ccc(F)cc1F
InChIInChI=1S/C15H14BrF2NS/c1-19-14(11-7-6-10(17)8-13(11)18)9-20-15-5-3-2-4-12(15)16/h2-8,14,19H,9H2,1H3
InChIKeyJRVAWSRVZKCMSY-UHFFFAOYSA-N
XLogP4.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.25
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-bromophenyl)sulfanyl-1-(2,4-difluorophenyl)-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-(4-fluoro-2-methylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
CID 66096546
1-(2,4-difluorophenyl)-N-methyl-2-(4-methylphenyl)sulfanylethanamine
CID 66066186
1-(2-bromo-5-fluorophenyl)-3-(2-bromophenyl)sulfanyl-N-methylpropan-2-amine
CID 66144079
2-(2-bromophenyl)sulfanyl-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 64614124
1-(2-chloro-5-fluorophenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
CID 105395120
1-(4-fluoro-2-methylphenyl)-N-methyl-2-phenylsulfanylethanamine
CID 65143326
2-(3-bromo-4-fluorophenyl)-1-(2,4-difluorophenyl)-N-methylethanamine
CID 63084053
1-(2-bromophenyl)sulfanyl-3-(2-chloro-5-fluorophenyl)-N-methylpropan-2-amine
CID 102619034
2-(3-bromophenyl)sulfanyl-1-(2,5-difluorophenyl)-N-methylethanamine
CID 66159611
[1-(2-bromophenyl)sulfanyl-3-(2,4-difluorophenyl)propan-2-yl]hydrazine
CID 105238200
1-(2,4-difluorophenyl)-N-methyl-2-methylsulfonylethanamine
CID 62802366
[2-(2-bromophenyl)sulfanyl-1-(2,3-difluoro-4-methylphenyl)ethyl]hydrazine
CID 107516429

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)sulfanyl-1-(2,4-difluorophenyl)-N-methylethanamine?
The IUPAC name of 2-(2-bromophenyl)sulfanyl-1-(2,4-difluorophenyl)-N-methylethanamine (CID 66143100) is 2-(2-bromophenyl)sulfanyl-1-(2,4-difluorophenyl)-N-methylethanamine.
What is the SMILES notation for 2-(2-bromophenyl)sulfanyl-1-(2,4-difluorophenyl)-N-methylethanamine?
The canonical SMILES for 2-(2-bromophenyl)sulfanyl-1-(2,4-difluorophenyl)-N-methylethanamine is CNC(CSc1ccccc1Br)c1ccc(F)cc1F.
What is the InChIKey of 2-(2-bromophenyl)sulfanyl-1-(2,4-difluorophenyl)-N-methylethanamine?
The InChIKey is JRVAWSRVZKCMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2NS/c1-19-14(11-7-6-10(17)8-13(11)18)9-20-15-5-3-2-4-12(15)16/h2-8,14,19H,9H2,1H3.
What are the key properties of 2-(2-bromophenyl)sulfanyl-1-(2,4-difluorophenyl)-N-methylethanamine?
2-(2-bromophenyl)sulfanyl-1-(2,4-difluorophenyl)-N-methylethanamine has a molecular weight of 358.25 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)sulfanyl-1-(2,4-difluorophenyl)-N-methylethanamine is sourced from PubChem (CID 66143100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).