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

• ChemBase ID: 125147
• Molecular Formular: C14H12N2
• Molecular Mass: 208.25848
• Monoisotopic Mass: 208.10004839
• SMILES: Nn1cc(c2ccccc12)c1ccccc1
• Canonical SMILES: Nn1cc(c2c1cccc2)c1ccccc1
• InChI: InChI=1S/C14H12N2/c15-16-10-13(11-6-2-1-3-7-11)12-8-4-5-9-14(12)16/h1-10H,15H2
• InChIKey: SZBSSFJINJSGMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-phenyl-1H-indol-1-amine
• IUPAC Traditional name: 1-amino-3-phenylindole
• Synonyms: 1-Amino-3-phenylindole

Database IDs

• CAS Number: 3929-81-5
• PubChem SID: 162219497
• PubChem CID: 20337768
• Chemspider ID: 15284552
• Wikipedia Title: 1-Amino-3-phenylindole

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.7534735
• LogD (pH = 7.4): 2.753632
• Log P: 2.7536342
• Molar Refractivity: 68.1755 cm^3
• Polarizability: 27.860918 Å^3
• Polar Surface Area: 30.95 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true