3-(2-aminopropyl)-1H-indol-4-ol

• ChemBase ID: 125435
• Molecular Formular: C11H14N2O
• Molecular Mass: 190.24166
• Monoisotopic Mass: 190.11061308
• SMILES: c1ccc2[nH]cc(CC(C)N)c2c1O
• Canonical SMILES: CC(Cc1c[nH]c2c1c(O)ccc2)N
• InChI: InChI=1S/C11H14N2O/c1-7(12)5-8-6-13-9-3-2-4-10(14)11(8)9/h2-4,6-7,13-14H,5,12H2,1H3
• InChIKey: BYMNOLWNRCZVLJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-aminopropyl)-1H-indol-4-ol
• IUPAC Traditional name: 4-HO-amt
• Synonyms: 4-HO-AMT

Database IDs

• PubChem SID: 162219785
• PubChem CID: 14083213
• CHEMBL: 285823
• Chemspider ID: 23128298
• Wikipedia Title: 4-HO-AMT

CALCULATED PROPERTIES

• Acid pKa: 9.094864
• H Acceptors: 2
• H Donor: 3
• LogD (pH = 5.5): -1.4051869
• LogD (pH = 7.4): -0.6357772
• Log P: 0.69696355
• Molar Refractivity: 56.7726 cm^3
• Polarizability: 23.153667 Å^3
• Polar Surface Area: 62.04 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Admin Routes: Oral
• Legal Status: Uncontrolled (but may be covered under the Federal Analogue Act in the United States and under similar bills in other countries)