1-methyl-1H-indol-6-amine

• ChemBase ID: 262281
• Molecular Formular: C9H10N2
• Molecular Mass: 146.1891
• Monoisotopic Mass: 146.08439833
• SMILES: n1(c2c(cc1)ccc(c2)N)C
• Canonical SMILES: Nc1ccc2c(c1)n(C)cc2
• InChI: InChI=1S/C9H10N2/c1-11-5-4-7-2-3-8(10)6-9(7)11/h2-6H,10H2,1H3
• InChIKey: MTZOSTDWLSSPHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-1H-indol-6-amine
• IUPAC Traditional name: 1-methylindol-6-amine
• Synonyms: 1-methyl-1H-indol-6-amine

Database IDs

• CAS Number: 135855-62-8
• MDL Number: MFCD10000822
• PubChem SID: 164318191
• PubChem CID: 10534799

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.4572496
• LogD (pH = 7.4): 1.4666369
• Log P: 1.4667579
• Molar Refractivity: 46.7416 cm^3
• Polarizability: 18.502829 Å^3
• Polar Surface Area: 30.95 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.596

Product Information

• Purity: 95%; 98%