[(5-methoxy-1H-indol-2-yl)methyl](methyl)amine

• ChemBase ID: 15599
• Molecular Formular: C11H14N2O
• Molecular Mass: 190.24166
• Monoisotopic Mass: 190.11061308
• SMILES: [nH]1c(cc2c1ccc(c2)OC)CNC
• Canonical SMILES: CNCc1cc2c([nH]1)ccc(c2)OC
• InChI: InChI=1S/C11H14N2O/c1-12-7-9-5-8-6-10(14-2)3-4-11(8)13-9/h3-6,12-13H,7H2,1-2H3
• InChIKey: ADUALTRHQFEHPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(5-methoxy-1H-indol-2-yl)methyl](methyl)amine
• IUPAC Traditional name: [(5-methoxy-1H-indol-2-yl)methyl](methyl)amine
• Synonyms: [(5-Methoxy-1H-indol-2-yl)methyl]methylamine

Database IDs

• MDL Number: MFCD02089397
• PubChem SID: 160978906
• PubChem CID: 10442520

CALCULATED PROPERTIES

• Acid pKa: 15.995095
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.7550665
• LogD (pH = 7.4): -0.54725224
• Log P: 1.3926865
• Molar Refractivity: 56.7332 cm^3
• Polarizability: 23.304707 Å^3
• Polar Surface Area: 37.05 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false