1-benzyl-1H-indol-5-amine

• ChemBase ID: 101720
• Molecular Formular: C15H14N2
• Molecular Mass: 222.28506
• Monoisotopic Mass: 222.11569846
• SMILES: n1(c2c(cc1)cc(cc2)N)Cc1ccccc1
• Canonical SMILES: Nc1ccc2c(c1)ccn2Cc1ccccc1
• InChI: InChI=1S/C15H14N2/c16-14-6-7-15-13(10-14)8-9-17(15)11-12-4-2-1-3-5-12/h1-10H,11,16H2
• InChIKey: UYDNPZLYDODKKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-1H-indol-5-amine
• IUPAC Traditional name: 1-benzylindol-5-amine
• Synonyms: 1-benzyl-1H-indol-5-ylamine; 1-benzyl-1H-indol-5-amine

Database IDs

• CAS Number: 26807-73-8
• MDL Number: MFCD03070173
• PubChem SID: 162086853
• PubChem CID: 2794624

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.1843977
• LogD (pH = 7.4): 3.1911442
• Log P: 3.191231
• Molar Refractivity: 71.3542 cm^3
• Polarizability: 28.152277 Å^3
• Polar Surface Area: 30.95 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%