1-(2,5-dichlorophenyl)-2-(2-fluorophenyl)sulfanyl-N-methylethanamine

C15H14Cl2FNS — CID 66053283

IUPAC1-(2,5-dichlorophenyl)-2-(2-fluorophenyl)sulfanyl-N-methylethanamine
SMILESCNC(CSc1ccccc1F)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H14Cl2FNS/c1-19-14(11-8-10(16)6-7-12(11)17)9-20-15-5-3-2-4-13(15)18/h2-8,14,19H,9H2,1H3
InChIKeyYNROKOZIYPVMTK-UHFFFAOYSA-N
MW330.26 g/mol
LogP5.19
Rot. Bonds5

About 1-(2,5-dichlorophenyl)-2-(2-fluorophenyl)sulfanyl-N-methylethanamine

1-(2,5-dichlorophenyl)-2-(2-fluorophenyl)sulfanyl-N-methylethanamine (PubChem CID 66053283) has the molecular formula C15H14Cl2FNS and a molecular weight of 330.26 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-2-(2-fluorophenyl)sulfanyl-N-methylethanamine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-2-(2-fluorophenyl)sulfanyl-N-methylethanamine
PubChem CID66053283
Molecular FormulaC15H14Cl2FNS
Molecular Weight330.26 g/mol
Exact Mass329.02
IUPAC Name1-(2,5-dichlorophenyl)-2-(2-fluorophenyl)sulfanyl-N-methylethanamine
SMILESCNC(CSc1ccccc1F)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H14Cl2FNS/c1-19-14(11-8-10(16)6-7-12(11)17)9-20-15-5-3-2-4-13(15)18/h2-8,14,19H,9H2,1H3
InChIKeyYNROKOZIYPVMTK-UHFFFAOYSA-N
XLogP5.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.26
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,5-dichlorophenyl)-2-(2-fluorophenyl)sulfanyl-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

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-2-(2-fluorophenyl)sulfanyl-N-methylethanamine?
The IUPAC name of 1-(2,5-dichlorophenyl)-2-(2-fluorophenyl)sulfanyl-N-methylethanamine (CID 66053283) is 1-(2,5-dichlorophenyl)-2-(2-fluorophenyl)sulfanyl-N-methylethanamine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-2-(2-fluorophenyl)sulfanyl-N-methylethanamine?
The canonical SMILES for 1-(2,5-dichlorophenyl)-2-(2-fluorophenyl)sulfanyl-N-methylethanamine is CNC(CSc1ccccc1F)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-2-(2-fluorophenyl)sulfanyl-N-methylethanamine?
The InChIKey is YNROKOZIYPVMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FNS/c1-19-14(11-8-10(16)6-7-12(11)17)9-20-15-5-3-2-4-13(15)18/h2-8,14,19H,9H2,1H3.
What are the key properties of 1-(2,5-dichlorophenyl)-2-(2-fluorophenyl)sulfanyl-N-methylethanamine?
1-(2,5-dichlorophenyl)-2-(2-fluorophenyl)sulfanyl-N-methylethanamine has a molecular weight of 330.26 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-2-(2-fluorophenyl)sulfanyl-N-methylethanamine is sourced from PubChem (CID 66053283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).