N-[(2-fluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine

• ChemBase ID: 270805
• Molecular Formular: C16H16FN
• Molecular Mass: 241.3033432
• Monoisotopic Mass: 241.12667774
• SMILES: c12c(CC(NCc3c(F)cccc3)C1)cccc2
• Canonical SMILES: Fc1ccccc1CNC1Cc2c(C1)cccc2
• InChI: InChI=1S/C16H16FN/c17-16-8-4-3-7-14(16)11-18-15-9-12-5-1-2-6-13(12)10-15/h1-8,15,18H,9-11H2
• InChIKey: UIATZNMHDAJCTC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-fluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine
• IUPAC Traditional name: N-[(2-fluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine
• Synonyms: N-[(2-fluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine

Database IDs

• MDL Number: MFCD11043067
• PubChem SID: 164326715
• PubChem CID: 20760422

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.70174086
• LogD (pH = 7.4): 2.0872202
• Log P: 3.7870865
• Molar Refractivity: 71.8698 cm^3
• Polarizability: 27.585777 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.635

Product Information

• Purity: 95%