Adrenalone
C₉H₁₁NO₃·181.190 g/mol·CID 7436
IUPAC: 1-(3,4-dihydroxyphenyl)-2-(methylamino)ethanone
Also known as: 99-45-6, Adrenone, 1-(3,4-Dihydroxyphenyl)-2-(methylamino)ethanone, Stypnone, 4-Methylaminoacetocatechol (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
181.190g/mol
Exact Mass
181.073893Da
Monoisotopic Mass
181.073893Da
XLogP
0.5
Polar Surface Area
69.6Ų
Complexity
184
Formal Charge
0
H-Bond Donors
3
H-Bond Acceptors
4
Rotatable Bonds
3
Heavy Atoms
13
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 181.2 g/mol
MW ≤ 500
✓ 0.5
LogP ≤ 5
✓ 3
H-bond donors ≤ 5
✓ 4
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C9H11NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,10-12H,5H2,1H3
Isomers8 compounds with formula C₉H₁₁NO₃
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid
CID 6057 · 181.2 g/mol
(2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid
CID 71098 · 181.2 g/mol
ethyl N-(3-hydroxyphenyl)carbamate
CID 23548 · 181.2 g/mol
(2-hydroxy-2-phenylethyl) carbamate
CID 7186 · 181.2 g/mol
2-amino-3-(4-hydroxyphenyl)propanoic acid
CID 1153 · 181.2 g/mol
(2S)-2-amino-3-(3-hydroxyphenyl)propanoic acid
CID 6950578 · 181.2 g/mol
(2S)-2-azaniumyl-3-(4-hydroxyphenyl)propanoate
CID 6942100 · 181.2 g/mol
2-azaniumyl-3-(4-hydroxyphenyl)propanoate
CID 4300518 · 181.2 g/mol