[6-(2,3-dihydro-1H-indol-1-yl)pyridin-3-yl]methanamine

• ChemBase ID: 48582
• Molecular Formular: C14H15N3
• Molecular Mass: 225.289
• Monoisotopic Mass: 225.1265975
• SMILES: N1(c2ncc(cc2)CN)c2c(CC1)cccc2
• Canonical SMILES: NCc1ccc(nc1)N1CCc2c1cccc2
• InChI: InChI=1S/C14H15N3/c15-9-11-5-6-14(16-10-11)17-8-7-12-3-1-2-4-13(12)17/h1-6,10H,7-9,15H2
• InChIKey: AQONBFGUFWKYPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [6-(2,3-dihydro-1H-indol-1-yl)pyridin-3-yl]methanamine
• IUPAC Traditional name: [6-(2,3-dihydroindol-1-yl)pyridin-3-yl]methanamine
• Synonyms: [6-(2,3-Dihydro-1H-indol-1-yl)-3-pyridinyl]-methanamine

Database IDs

• MDL Number: MFCD09734258
• PubChem SID: 162053345
• PubChem CID: 16787498

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.78075916
• LogD (pH = 7.4): 0.3452301
• Log P: 2.1792898
• Molar Refractivity: 69.3805 cm^3
• Polarizability: 26.422876 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false