2-phenyl-1H-indol-3-amine

• ChemBase ID: 121652
• Molecular Formular: C14H12N2
• Molecular Mass: 208.25848
• Monoisotopic Mass: 208.10004839
• SMILES: c1([nH]c2c(c1N)cccc2)c1ccccc1
• Canonical SMILES: Nc1c([nH]c2c1cccc2)c1ccccc1
• InChI: InChI=1S/C14H12N2/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9,16H,15H2
• InChIKey: XGKAJJZDQGRYJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenyl-1H-indol-3-amine
• IUPAC Traditional name: 2-phenyl-1H-indol-3-amine
• Synonyms: 2-phenyl-1H-indol-3-amine

Database IDs

• PubChem SID: 162216005
• PubChem CID: 2749340

CALCULATED PROPERTIES

• Acid pKa: 17.860882
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 2.8103082
• LogD (pH = 7.4): 2.8103085
• Log P: 2.8103085
• Molar Refractivity: 66.8586 cm^3
• Polarizability: 27.852757 Å^3
• Polar Surface Area: 41.81 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true