2-(2-bromophenyl)sulfanyl-N,N-dimethylethanamine

C10H14BrNS — CID 46233353

IUPAC2-(2-bromophenyl)sulfanyl-N,N-dimethylethanamine
SMILESCN(C)CCSc1ccccc1Br
InChIInChI=1S/C10H14BrNS/c1-12(2)7-8-13-10-6-4-3-5-9(10)11/h3-6H,7-8H2,1-2H3
InChIKeyWXAWOWHEHSIUMN-UHFFFAOYSA-N
MW260.20 g/mol
LogP3.10
Rot. Bonds4

About 2-(2-bromophenyl)sulfanyl-N,N-dimethylethanamine

2-(2-bromophenyl)sulfanyl-N,N-dimethylethanamine (PubChem CID 46233353) has the molecular formula C10H14BrNS and a molecular weight of 260.20 g/mol. Its IUPAC name is 2-(2-bromophenyl)sulfanyl-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)sulfanyl-N,N-dimethylethanamine
PubChem CID46233353
Molecular FormulaC10H14BrNS
Molecular Weight260.20 g/mol
Exact Mass259.00
IUPAC Name2-(2-bromophenyl)sulfanyl-N,N-dimethylethanamine
SMILESCN(C)CCSc1ccccc1Br
InChIInChI=1S/C10H14BrNS/c1-12(2)7-8-13-10-6-4-3-5-9(10)11/h3-6H,7-8H2,1-2H3
InChIKeyWXAWOWHEHSIUMN-UHFFFAOYSA-N
XLogP3.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.20
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2-bromophenyl)sulfanyl-N,N-dimethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)sulfanyl-N,N-dimethylethanamine?
The IUPAC name of 2-(2-bromophenyl)sulfanyl-N,N-dimethylethanamine (CID 46233353) is 2-(2-bromophenyl)sulfanyl-N,N-dimethylethanamine.
What is the SMILES notation for 2-(2-bromophenyl)sulfanyl-N,N-dimethylethanamine?
The canonical SMILES for 2-(2-bromophenyl)sulfanyl-N,N-dimethylethanamine is CN(C)CCSc1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)sulfanyl-N,N-dimethylethanamine?
The InChIKey is WXAWOWHEHSIUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNS/c1-12(2)7-8-13-10-6-4-3-5-9(10)11/h3-6H,7-8H2,1-2H3.
What are the key properties of 2-(2-bromophenyl)sulfanyl-N,N-dimethylethanamine?
2-(2-bromophenyl)sulfanyl-N,N-dimethylethanamine has a molecular weight of 260.20 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)sulfanyl-N,N-dimethylethanamine is sourced from PubChem (CID 46233353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).