[2-(2,3-dihydro-1H-indol-1-yl)phenyl]methanamine

• ChemBase ID: 49116
• Molecular Formular: C15H16N2
• Molecular Mass: 224.30094
• Monoisotopic Mass: 224.13134852
• SMILES: N1(c2c(CN)cccc2)c2c(CC1)cccc2
• Canonical SMILES: NCc1ccccc1N1CCc2c1cccc2
• InChI: InChI=1S/C15H16N2/c16-11-13-6-2-4-8-15(13)17-10-9-12-5-1-3-7-14(12)17/h1-8H,9-11,16H2
• InChIKey: FATZZJYNNQYICP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(2,3-dihydro-1H-indol-1-yl)phenyl]methanamine
• IUPAC Traditional name: [2-(2,3-dihydroindol-1-yl)phenyl]methanamine
• Synonyms: [2-(2,3-Dihydro-1H-indol-1-yl)phenyl]methanamine

Database IDs

• MDL Number: MFCD08699754
• PubChem SID: 162053879
• PubChem CID: 13324719

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.053644575
• LogD (pH = 7.4): 1.366498
• Log P: 2.8025045
• Molar Refractivity: 71.2239 cm^3
• Polarizability: 27.3593 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false