2-(furan-2-yl)-2-(4-methylsulfanylphenoxy)ethanamine

C13H15NO2S — CID 63649487

IUPAC2-(furan-2-yl)-2-(4-methylsulfanylphenoxy)ethanamine
SMILESCSc1ccc(OC(CN)c2ccco2)cc1
InChIInChI=1S/C13H15NO2S/c1-17-11-6-4-10(5-7-11)16-13(9-14)12-3-2-8-15-12/h2-8,13H,9,14H2,1H3
InChIKeyBETDOBJZRZTJTQ-UHFFFAOYSA-N
MW249.34 g/mol
LogP3.08
Rot. Bonds5

About 2-(furan-2-yl)-2-(4-methylsulfanylphenoxy)ethanamine

2-(furan-2-yl)-2-(4-methylsulfanylphenoxy)ethanamine (PubChem CID 63649487) has the molecular formula C13H15NO2S and a molecular weight of 249.34 g/mol. Its IUPAC name is 2-(furan-2-yl)-2-(4-methylsulfanylphenoxy)ethanamine.

Molecular Properties

Compound Name2-(furan-2-yl)-2-(4-methylsulfanylphenoxy)ethanamine
PubChem CID63649487
Molecular FormulaC13H15NO2S
Molecular Weight249.34 g/mol
Exact Mass249.08
IUPAC Name2-(furan-2-yl)-2-(4-methylsulfanylphenoxy)ethanamine
SMILESCSc1ccc(OC(CN)c2ccco2)cc1
InChIInChI=1S/C13H15NO2S/c1-17-11-6-4-10(5-7-11)16-13(9-14)12-3-2-8-15-12/h2-8,13H,9,14H2,1H3
InChIKeyBETDOBJZRZTJTQ-UHFFFAOYSA-N
XLogP3.08
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(furan-2-yl)-2-(4-methylsulfanylphenoxy)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-(furan-2-yl)-2-(4-methylsulfanylphenoxy)ethanamine?
The IUPAC name of 2-(furan-2-yl)-2-(4-methylsulfanylphenoxy)ethanamine (CID 63649487) is 2-(furan-2-yl)-2-(4-methylsulfanylphenoxy)ethanamine.
What is the SMILES notation for 2-(furan-2-yl)-2-(4-methylsulfanylphenoxy)ethanamine?
The canonical SMILES for 2-(furan-2-yl)-2-(4-methylsulfanylphenoxy)ethanamine is CSc1ccc(OC(CN)c2ccco2)cc1.
What is the InChIKey of 2-(furan-2-yl)-2-(4-methylsulfanylphenoxy)ethanamine?
The InChIKey is BETDOBJZRZTJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c1-17-11-6-4-10(5-7-11)16-13(9-14)12-3-2-8-15-12/h2-8,13H,9,14H2,1H3.
What are the key properties of 2-(furan-2-yl)-2-(4-methylsulfanylphenoxy)ethanamine?
2-(furan-2-yl)-2-(4-methylsulfanylphenoxy)ethanamine has a molecular weight of 249.34 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-2-(4-methylsulfanylphenoxy)ethanamine is sourced from PubChem (CID 63649487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).