Proscaline
C₁₃H₂₁NO₃·239.310 g/mol·CID 15102790
IUPAC: 2-(3,5-dimethoxy-4-propoxyphenyl)ethanamine
Also known as: 2-(3,5-Dimethoxy-4-propoxyphenyl)ethanamine, 4-Propoxy-3,5-DMPEA, 99G781N5IO, UNII-99G781N5IO, DTXSID00192454 (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
239.310g/mol
Exact Mass
239.152144Da
Monoisotopic Mass
239.152144Da
XLogP
1.7
Polar Surface Area
53.7Ų
Complexity
187
Formal Charge
0
H-Bond Donors
1
H-Bond Acceptors
4
Rotatable Bonds
7
Heavy Atoms
17
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 239.3 g/mol
MW ≤ 500
✓ 1.7
LogP ≤ 5
✓ 1
H-bond donors ≤ 5
✓ 4
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C13H21NO3/c1-4-7-17-13-11(15-2)8-10(5-6-14)9-12(13)16-3/h8-9H,4-7,14H2,1-3H3