methyl[(1-methyl-1H-indol-6-yl)methyl]amine

• ChemBase ID: 101264
• Molecular Formular: C11H14N2
• Molecular Mass: 174.24226
• Monoisotopic Mass: 174.11569846
• SMILES: n1(c2c(cc1)ccc(c2)CNC)C
• Canonical SMILES: CNCc1ccc2c(c1)n(C)cc2
• InChI: InChI=1S/C11H14N2/c1-12-8-9-3-4-10-5-6-13(2)11(10)7-9/h3-7,12H,8H2,1-2H3
• InChIKey: ODIDITAYVOGYIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(1-methyl-1H-indol-6-yl)methyl]amine
• IUPAC Traditional name: methyl[(1-methylindol-6-yl)methyl]amine
• Synonyms: N-methyl-N-[(1-methyl-1H-indol-6-yl)methyl]amine

Database IDs

• CAS Number: 884507-20-4
• MDL Number: MFCD08690256
• PubChem SID: 162087919
• PubChem CID: 18525770

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.3440143
• LogD (pH = 7.4): -0.4137574
• Log P: 1.8540328
• Molar Refractivity: 55.2892 cm^3
• Polarizability: 22.612364 Å^3
• Polar Surface Area: 16.96 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%