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

• ChemBase ID: 248712
• Molecular Formular: C9H10N2
• Molecular Mass: 146.1891
• Monoisotopic Mass: 146.08439833
• SMILES: c12cc(c(cc1cc[nH]2)C)N
• Canonical SMILES: Nc1cc2[nH]ccc2cc1C
• InChI: InChI=1S/C9H10N2/c1-6-4-7-2-3-11-9(7)5-8(6)10/h2-5,11H,10H2,1H3
• InChIKey: UDRZZTWNPXZLNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-1H-indol-6-amine
• IUPAC Traditional name: 5-methyl-1H-indol-6-amine
• Synonyms: 5-methyl-1H-indol-6-amine

Database IDs

• MDL Number: MFCD09026998
• PubChem SID: 164304622
• PubChem CID: 21218302

CALCULATED PROPERTIES

• Acid pKa: 17.329695
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 1.7510189
• LogD (pH = 7.4): 1.7564337
• Log P: 1.7565032
• Molar Refractivity: 46.8861 cm^3
• Polarizability: 18.5056 Å^3
• Polar Surface Area: 41.81 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.354

Product Information

• Purity: 95%