1-[2-(2,4-dimethylphenyl)sulfanyl-6-fluorophenyl]-N-methylethanamine

C17H20FNS — CID 43286290

IUPAC1-[2-(2,4-dimethylphenyl)sulfanyl-6-fluorophenyl]-N-methylethanamine
SMILESCNC(C)c1c(F)cccc1Sc1ccc(C)cc1C
InChIInChI=1S/C17H20FNS/c1-11-8-9-15(12(2)10-11)20-16-7-5-6-14(18)17(16)13(3)19-4/h5-10,13,19H,1-4H3
InChIKeyJWYXZBIAWFBQNM-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.87
Rot. Bonds4

About 1-[2-(2,4-dimethylphenyl)sulfanyl-6-fluorophenyl]-N-methylethanamine

1-[2-(2,4-dimethylphenyl)sulfanyl-6-fluorophenyl]-N-methylethanamine (PubChem CID 43286290) has the molecular formula C17H20FNS and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-[2-(2,4-dimethylphenyl)sulfanyl-6-fluorophenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(2,4-dimethylphenyl)sulfanyl-6-fluorophenyl]-N-methylethanamine
PubChem CID43286290
Molecular FormulaC17H20FNS
Molecular Weight289.42 g/mol
Exact Mass289.13
IUPAC Name1-[2-(2,4-dimethylphenyl)sulfanyl-6-fluorophenyl]-N-methylethanamine
SMILESCNC(C)c1c(F)cccc1Sc1ccc(C)cc1C
InChIInChI=1S/C17H20FNS/c1-11-8-9-15(12(2)10-11)20-16-7-5-6-14(18)17(16)13(3)19-4/h5-10,13,19H,1-4H3
InChIKeyJWYXZBIAWFBQNM-UHFFFAOYSA-N
XLogP4.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-(2,4-dimethylphenyl)sulfanyl-6-fluorophenyl]-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-(2,4-dimethylphenyl)sulfanyl-6-fluorophenyl]-N-methylethanamine?
The IUPAC name of 1-[2-(2,4-dimethylphenyl)sulfanyl-6-fluorophenyl]-N-methylethanamine (CID 43286290) is 1-[2-(2,4-dimethylphenyl)sulfanyl-6-fluorophenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(2,4-dimethylphenyl)sulfanyl-6-fluorophenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-(2,4-dimethylphenyl)sulfanyl-6-fluorophenyl]-N-methylethanamine is CNC(C)c1c(F)cccc1Sc1ccc(C)cc1C.
What is the InChIKey of 1-[2-(2,4-dimethylphenyl)sulfanyl-6-fluorophenyl]-N-methylethanamine?
The InChIKey is JWYXZBIAWFBQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNS/c1-11-8-9-15(12(2)10-11)20-16-7-5-6-14(18)17(16)13(3)19-4/h5-10,13,19H,1-4H3.
What are the key properties of 1-[2-(2,4-dimethylphenyl)sulfanyl-6-fluorophenyl]-N-methylethanamine?
1-[2-(2,4-dimethylphenyl)sulfanyl-6-fluorophenyl]-N-methylethanamine has a molecular weight of 289.42 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dimethylphenyl)sulfanyl-6-fluorophenyl]-N-methylethanamine is sourced from PubChem (CID 43286290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).