2-(2,5-dimethoxy-4-propylsulfanylphenyl)ethanamine

C13H21NO2S — CID 24728635

IUPAC2-(2,5-dimethoxy-4-propylsulfanylphenyl)ethanamine
SMILESCCCSc1cc(OC)c(CCN)cc1OC
InChIInChI=1S/C13H21NO2S/c1-4-7-17-13-9-11(15-2)10(5-6-14)8-12(13)16-3/h8-9H,4-7,14H2,1-3H3
InChIKeyOLEVEPDJOFPJTF-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.71
Rot. Bonds7

About 2-(2,5-dimethoxy-4-propylsulfanylphenyl)ethanamine

2-(2,5-dimethoxy-4-propylsulfanylphenyl)ethanamine (PubChem CID 24728635) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is 2-(2,5-dimethoxy-4-propylsulfanylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,5-dimethoxy-4-propylsulfanylphenyl)ethanamine
PubChem CID24728635
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name2-(2,5-dimethoxy-4-propylsulfanylphenyl)ethanamine
SMILESCCCSc1cc(OC)c(CCN)cc1OC
InChIInChI=1S/C13H21NO2S/c1-4-7-17-13-9-11(15-2)10(5-6-14)8-12(13)16-3/h8-9H,4-7,14H2,1-3H3
InChIKeyOLEVEPDJOFPJTF-UHFFFAOYSA-N
XLogP2.71
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,5-dimethoxy-4-propylsulfanylphenyl)ethanamine 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-(2,5-dimethoxy-4-propylsulfanylphenyl)ethanamine?
The IUPAC name of 2-(2,5-dimethoxy-4-propylsulfanylphenyl)ethanamine (CID 24728635) is 2-(2,5-dimethoxy-4-propylsulfanylphenyl)ethanamine.
What is the SMILES notation for 2-(2,5-dimethoxy-4-propylsulfanylphenyl)ethanamine?
The canonical SMILES for 2-(2,5-dimethoxy-4-propylsulfanylphenyl)ethanamine is CCCSc1cc(OC)c(CCN)cc1OC.
What is the InChIKey of 2-(2,5-dimethoxy-4-propylsulfanylphenyl)ethanamine?
The InChIKey is OLEVEPDJOFPJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-4-7-17-13-9-11(15-2)10(5-6-14)8-12(13)16-3/h8-9H,4-7,14H2,1-3H3.
What are the key properties of 2-(2,5-dimethoxy-4-propylsulfanylphenyl)ethanamine?
2-(2,5-dimethoxy-4-propylsulfanylphenyl)ethanamine has a molecular weight of 255.38 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxy-4-propylsulfanylphenyl)ethanamine is sourced from PubChem (CID 24728635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).