(2-phenylindolizin-3-yl)methanamine

• ChemBase ID: 118046
• Molecular Formular: C15H14N2
• Molecular Mass: 222.28506
• Monoisotopic Mass: 222.11569846
• SMILES: n12c(c(cc1cccc2)c1ccccc1)CN
• Canonical SMILES: NCc1c(cc2n1cccc2)c1ccccc1
• InChI: InChI=1S/C15H14N2/c16-11-15-14(12-6-2-1-3-7-12)10-13-8-4-5-9-17(13)15/h1-10H,11,16H2
• InChIKey: OPRUNGNWMGEKFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-phenylindolizin-3-yl)methanamine
• IUPAC Traditional name: (2-phenylindolizin-3-yl)methanamine
• Synonyms: [(2-phenylindolizin-3-yl)methyl]amine

Database IDs

• MDL Number: MFCD16653362
• PubChem SID: 162089497
• PubChem CID: 45496730

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.6574381
• LogD (pH = 7.4): 0.45525104
• Log P: 2.3027546
• Molar Refractivity: 71.6278 cm^3
• Polarizability: 29.387753 Å^3
• Polar Surface Area: 30.43 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 3.092

Product Information

• Purity: 95+%