1-methyl-2,3-dihydro-1H-indol-6-amine

• ChemBase ID: 258864
• Molecular Formular: C9H12N2
• Molecular Mass: 148.20498
• Monoisotopic Mass: 148.10004839
• SMILES: c12N(CCc2ccc(c1)N)C
• Canonical SMILES: Nc1ccc2c(c1)N(C)CC2
• InChI: InChI=1S/C9H12N2/c1-11-5-4-7-2-3-8(10)6-9(7)11/h2-3,6H,4-5,10H2,1H3
• InChIKey: ZWXDYSNVJMNJQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-2,3-dihydro-1H-indol-6-amine
• IUPAC Traditional name: 1-methyl-2,3-dihydroindol-6-amine
• Synonyms: 1-methyl-2,3-dihydro-1H-indol-6-amine

Database IDs

• CAS Number: 103796-62-9
• MDL Number: MFCD10000814
• PubChem SID: 164314774
• PubChem CID: 12369048

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0944681
• LogD (pH = 7.4): 1.2891033
• Log P: 1.2922522
• Molar Refractivity: 48.4966 cm^3
• Polarizability: 17.331684 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.335

Product Information

• Purity: 95%; 98%