PharmAla-1

APA-01

Molecular structure via molpic based on CDK

Rotamer []

Conformer structure via 3Dmol.js

Physical properties []
Molecular mass	205.25 g/mol ^[1]
Predicted LogP	2.3 ^[1]

Structural Identifiers []
Molecular formula	C₁₂H₁₅NO₂ ^[1]
IUPAC name	(2R)-2-(1,3-benzodioxol-5-ylmethyl)pyrrolidine ^[1]
SMILES	C1C[C@@H](NC1)CC2=CC3=C(C=C2)OCO3 ^[1]
InChI	InChI=1S/C12H15NO2/c1-2-10(13-5-1)6-9-3-4-11-12(7-9)15-8-14-11/h3-4,7,10,13H,1-2,5-6,8H2/t10-/m1/s1 ^[1]
InChIKey	IRWQJDYJIAIJSC-SNVBAGLBSA-N ^[1]

PharmAla-1 (also known as Schembl27075574 or Schembl31151854) is a substance of the 3,4-methylenedioxyphenethylamine and 2-benzylpyrrolidine class.

Chemistry

PharmAla-1 is a achiral mixture.

National Center for Biotechnology Information. PubChem Compound Summary for CID 94680847, PharmAla-1. Accessed August 24, 2026. https://pubchem.ncbi.nlm.nih.gov/compound/94680847