2-(3-bromophenyl)sulfanyl-N-methyl-1-phenylethanamine

C15H16BrNS — CID 64632010

IUPAC2-(3-bromophenyl)sulfanyl-N-methyl-1-phenylethanamine
SMILESCNC(CSc1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C15H16BrNS/c1-17-15(12-6-3-2-4-7-12)11-18-14-9-5-8-13(16)10-14/h2-10,15,17H,11H2,1H3
InChIKeySJGFPQDRQLVBNP-UHFFFAOYSA-N
MW322.27 g/mol
LogP4.50
Rot. Bonds5

About 2-(3-bromophenyl)sulfanyl-N-methyl-1-phenylethanamine

2-(3-bromophenyl)sulfanyl-N-methyl-1-phenylethanamine (PubChem CID 64632010) has the molecular formula C15H16BrNS and a molecular weight of 322.27 g/mol. Its IUPAC name is 2-(3-bromophenyl)sulfanyl-N-methyl-1-phenylethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)sulfanyl-N-methyl-1-phenylethanamine
PubChem CID64632010
Molecular FormulaC15H16BrNS
Molecular Weight322.27 g/mol
Exact Mass321.02
IUPAC Name2-(3-bromophenyl)sulfanyl-N-methyl-1-phenylethanamine
SMILESCNC(CSc1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C15H16BrNS/c1-17-15(12-6-3-2-4-7-12)11-18-14-9-5-8-13(16)10-14/h2-10,15,17H,11H2,1H3
InChIKeySJGFPQDRQLVBNP-UHFFFAOYSA-N
XLogP4.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.27
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-bromophenyl)sulfanyl-N-methyl-1-phenylethanamine 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-(3-bromophenyl)sulfanyl-1-phenylethyl]hydrazine
CID 105238272
2-(3-bromophenyl)sulfanyl-1-(3,4-difluorophenyl)-N-methylethanamine
CID 66159033
2-(3-bromophenyl)sulfanyl-1-(3-fluoro-5-methylphenyl)-N-methylethanamine
CID 79703608
1-(3-bromophenyl)sulfanyl-N-methyl-3-phenylpropan-2-amine
CID 66160792
2-(3-bromophenyl)sulfanyl-1-(2,5-difluorophenyl)-N-methylethanamine
CID 66159611
1-(4-bromo-1-methylpyrazol-5-yl)-2-(3-bromophenyl)sulfanyl-N-methylethanamine
CID 114656359
1-(3-fluorophenyl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine
CID 66072488
2-(3-bromophenyl)sulfanyl-1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methylethanamine
CID 114656355
2-(3-bromophenyl)sulfanyl-N-ethyl-1-(4-fluorophenyl)ethanamine
CID 66158848
2-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)-N-methylethanamine
CID 66055898
2-(4-bromophenyl)sulfanyl-1-(3-chlorophenyl)-N-methylethanamine
CID 66054713
N-[2-(3-bromophenyl)sulfanyl-1-(4-fluorophenyl)ethyl]propan-1-amine
CID 66160810

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)sulfanyl-N-methyl-1-phenylethanamine?
The IUPAC name of 2-(3-bromophenyl)sulfanyl-N-methyl-1-phenylethanamine (CID 64632010) is 2-(3-bromophenyl)sulfanyl-N-methyl-1-phenylethanamine.
What is the SMILES notation for 2-(3-bromophenyl)sulfanyl-N-methyl-1-phenylethanamine?
The canonical SMILES for 2-(3-bromophenyl)sulfanyl-N-methyl-1-phenylethanamine is CNC(CSc1cccc(Br)c1)c1ccccc1.
What is the InChIKey of 2-(3-bromophenyl)sulfanyl-N-methyl-1-phenylethanamine?
The InChIKey is SJGFPQDRQLVBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNS/c1-17-15(12-6-3-2-4-7-12)11-18-14-9-5-8-13(16)10-14/h2-10,15,17H,11H2,1H3.
What are the key properties of 2-(3-bromophenyl)sulfanyl-N-methyl-1-phenylethanamine?
2-(3-bromophenyl)sulfanyl-N-methyl-1-phenylethanamine has a molecular weight of 322.27 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)sulfanyl-N-methyl-1-phenylethanamine is sourced from PubChem (CID 64632010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).