2,5-Dimethoxy-4-ethoxyamphetamine
C₁₃H₂₁NO₃·239.310 g/mol·CID 542053
IUPAC: 1-(4-ethoxy-2,5-dimethoxyphenyl)propan-2-amine
Also known as: 16128-88-4, 3I0ORO8174, CHEMBL8225, UNII-3I0ORO8174, (+/-)-1-(2,5-Dimethoxy-4-ethoxyphenyl)-2-aminopropane (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
239.310g/mol
Exact Mass
239.152144Da
Monoisotopic Mass
239.152144Da
XLogP
2.1
Polar Surface Area
53.7Ų
Complexity
213
Formal Charge
0
H-Bond Donors
1
H-Bond Acceptors
4
Rotatable Bonds
6
Heavy Atoms
17
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 239.3 g/mol
MW ≤ 500
✓ 2.1
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/c1-5-17-13-8-11(15-3)10(6-9(2)14)7-12(13)16-4/h7-9H,5-6,14H2,1-4H3
Isomers8 compounds with formula C₁₃H₂₁NO₃
4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol
CID 2083 · 239.3 g/mol
4-[1-hydroxy-2-(propan-2-ylamino)butyl]benzene-1,2-diol
CID 3762 · 239.3 g/mol
4-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol
CID 123600 · 239.3 g/mol
1-(2-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 71213 · 239.3 g/mol
(2S)-1-(2-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 3034006 · 239.3 g/mol
2-(3,5-dimethoxy-4-propoxyphenyl)ethanamine
CID 15102790 · 239.3 g/mol
1-[4-(hydroxymethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 10354230 · 239.3 g/mol
(E)-4-oxo-4-[(3,3,5-trimethylcyclohexyl)amino]but-2-enoic acid
CID 5826002 · 239.3 g/mol