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

• ChemBase ID: 92490
• Molecular Formular: C11H14N2
• Molecular Mass: 174.24226
• Monoisotopic Mass: 174.11569846
• SMILES: n1(c2c(cc(cc2)CNC)cc1)C
• Canonical SMILES: CNCc1ccc2c(c1)ccn2C
• InChI: InChI=1S/C11H14N2/c1-12-8-9-3-4-11-10(7-9)5-6-13(11)2/h3-7,12H,8H2,1-2H3
• InChIKey: SPRYNBKTIVXUOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(1-methyl-1H-indol-5-yl)methyl]amine
• IUPAC Traditional name: methyl[(1-methylindol-5-yl)methyl]amine
• Synonyms: N-methyl-N-[(1-methyl-1H-indol-5-yl)methyl]amine; N-Methyl-(1-methyl-1H-indol-5-yl)methylamine; N-Methyl-N-[(1-methyl-1H-indol-5-yl)methyl]amine; 1-Methyl-5-[(methylamino)methyl]-1H-indole

Database IDs

• CAS Number: 709649-73-0
• MDL Number: MFCD08271909
• PubChem SID: 162079188
• PubChem CID: 18525753

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.344305
• LogD (pH = 7.4): -0.41645026
• Log P: 1.8540328
• Molar Refractivity: 55.2892 cm^3
• Polarizability: 22.612314 Å^3
• Polar Surface Area: 16.96 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive/Harmful/Light Sensitive/Keep Cold/Store under Argon

Product Information

• Purity: 90%