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

• ChemBase ID: 15632
• Molecular Formular: C11H14N2
• Molecular Mass: 174.24226
• Monoisotopic Mass: 174.11569846
• SMILES: c1ccc2c(c1)n(c(c2)CNC)C
• Canonical SMILES: CNCc1cc2c(n1C)cccc2
• InChI: InChI=1S/C11H14N2/c1-12-8-10-7-9-5-3-4-6-11(9)13(10)2/h3-7,12H,8H2,1-2H3
• InChIKey: BMINWSYCLTUQSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(1-methyl-1H-indol-2-yl)methyl]amine
• IUPAC Traditional name: methyl[(1-methylindol-2-yl)methyl]amine
• Synonyms: N-Methyl-1-(1-methyl-1H-indol-2-yl)-methanamine

Database IDs

• CAS Number: 3514-15-6
• MDL Number: MFCD06801062
• PubChem SID: 160978939
• PubChem CID: 11401058

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.3654681
• LogD (pH = 7.4): -0.12756559
• Log P: 1.7740338
• Molar Refractivity: 55.1667 cm^3
• Polarizability: 22.613705 Å^3
• Polar Surface Area: 16.96 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false