1-benzyl-1H-indol-4-amine

• ChemBase ID: 124679
• Molecular Formular: C15H14N2
• Molecular Mass: 222.28506
• Monoisotopic Mass: 222.11569846
• SMILES: n1(c2c(cc1)c(N)ccc2)Cc1ccccc1
• Canonical SMILES: Nc1cccc2c1ccn2Cc1ccccc1
• InChI: InChI=1S/C15H14N2/c16-14-7-4-8-15-13(14)9-10-17(15)11-12-5-2-1-3-6-12/h1-10H,11,16H2
• InChIKey: YXEHMLGBGHNYJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-1H-indol-4-amine
• IUPAC Traditional name: 1-benzylindol-4-amine
• Synonyms: 1-benzyl-1H-indol-4-amine

Database IDs

• PubChem SID: 162219032
• PubChem CID: 12904515

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.187497
• LogD (pH = 7.4): 3.1911838
• Log P: 3.191231
• Molar Refractivity: 71.3542 cm^3
• Polarizability: 28.154226 Å^3
• Polar Surface Area: 30.95 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true