2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]pyridin-3-amine

• ChemBase ID: 79377
• Molecular Formular: C15H16N2O
• Molecular Mass: 240.30034
• Monoisotopic Mass: 240.12626314
• SMILES: O(c1c2c(c(cc1)C)CCC2)c1ncccc1N
• Canonical SMILES: Nc1cccnc1Oc1ccc(c2c1CCC2)C
• InChI: InChI=1S/C15H16N2O/c1-10-7-8-14(12-5-2-4-11(10)12)18-15-13(16)6-3-9-17-15/h3,6-9H,2,4-5,16H2,1H3
• InChIKey: FOMNPDKHJZXHDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]pyridin-3-amine
• IUPAC Traditional name: 2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]pyridin-3-amine
• Synonyms: 2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]pyridin-3-amine

Database IDs

• CAS Number: 175136-11-5
• MDL Number: MFCD00098320
• PubChem SID: 162044140
• PubChem CID: 2775022

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.5422056
• LogD (pH = 7.4): 3.5424955
• Log P: 3.542499
• Molar Refractivity: 73.0782 cm^3
• Polarizability: 27.311562 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%