(1-methyl-1H-indol-5-yl)methanamine

• ChemBase ID: 101246
• Molecular Formular: C10H12N2
• Molecular Mass: 160.21568
• Monoisotopic Mass: 160.10004839
• SMILES: n1(c2c(cc1)cc(cc2)CN)C
• Canonical SMILES: NCc1ccc2c(c1)ccn2C
• InChI: InChI=1S/C10H12N2/c1-12-5-4-9-6-8(7-11)2-3-10(9)12/h2-6H,7,11H2,1H3
• InChIKey: XYCZKICJSDSNOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-methyl-1H-indol-5-yl)methanamine
• IUPAC Traditional name: (1-methylindol-5-yl)methanamine
• Synonyms: (1-methyl-1H-indol-5-yl)methylamine

Database IDs

• CAS Number: 884507-17-9
• MDL Number: MFCD09025839
• PubChem SID: 162089162
• PubChem CID: 18525752

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.5567532
• LogD (pH = 7.4): -0.5471315
• Log P: 1.4214523
• Molar Refractivity: 50.5146 cm^3
• Polarizability: 20.76617 Å^3
• Polar Surface Area: 30.95 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95%