1-(5-methoxy-1H-indol-3-yl)propan-2-amine

• ChemBase ID: 68525
• Molecular Formular: C12H16N2O
• Molecular Mass: 204.26824
• Monoisotopic Mass: 204.12626314
• SMILES: NC(Cc1c[nH]c2ccc(cc12)OC)C
• Canonical SMILES: COc1ccc2c(c1)c(c[nH]2)CC(N)C
• InChI: InChI=1S/C12H16N2O/c1-8(13)5-9-7-14-12-4-3-10(15-2)6-11(9)12/h3-4,6-8,14H,5,13H2,1-2H3
• InChIKey: OGNJZVNNKBZFRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5-methoxy-1H-indol-3-yl)propan-2-amine
• IUPAC Traditional name: 5-MeO-AMT
• Synonyms: 5-Methoxy-alpha-methyltryptamine

Database IDs

• CAS Number: 1137-04-8
• MDL Number: MFCD03840210
• PubChem SID: 162034256
• PubChem CID: 36906

CALCULATED PROPERTIES

• Acid pKa: 17.414175
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.2726812
• LogD (pH = 7.4): -0.7077435
• Log P: 1.7453412
• Molar Refractivity: 61.2549 cm^3
• Polarizability: 25.071878 Å^3
• Polar Surface Area: 51.04 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%