1-benzyl-1H-indol-6-amine

• ChemBase ID: 245079
• Molecular Formular: C15H14N2
• Molecular Mass: 222.28506
• Monoisotopic Mass: 222.11569846
• SMILES: n1(c2c(cc1)ccc(c2)N)Cc1ccccc1
• Canonical SMILES: Nc1ccc2c(c1)n(cc2)Cc1ccccc1
• InChI: InChI=1S/C15H14N2/c16-14-7-6-13-8-9-17(15(13)10-14)11-12-4-2-1-3-5-12/h1-10H,11,16H2
• InChIKey: UOQORHZEJBHZAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-1H-indol-6-amine
• IUPAC Traditional name: 1-benzylindol-6-amine
• Synonyms: 1-benzyl-1H-indol-6-amine

Database IDs

• MDL Number: MFCD11638172
• PubChem SID: 164300989
• PubChem CID: 22019562

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.1830394
• LogD (pH = 7.4): 3.1911268
• Log P: 3.191231
• Molar Refractivity: 71.3542 cm^3
• Polarizability: 28.150803 Å^3
• Polar Surface Area: 30.95 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 119 - 121°C
• Hydrophobicity(logP): 3.114

Product Information

• Purity: 95%