benzyl[3-(fluoromethyl)pentan-3-yl]amine

• ChemBase ID: 278819
• Molecular Formular: C13H20FN
• Molecular Mass: 209.3030032
• Monoisotopic Mass: 209.15797787
• SMILES: N(C(CF)(CC)CC)Cc1ccccc1
• Canonical SMILES: CCC(NCc1ccccc1)(CF)CC
• InChI: InChI=1S/C13H20FN/c1-3-13(4-2,11-14)15-10-12-8-6-5-7-9-12/h5-9,15H,3-4,10-11H2,1-2H3
• InChIKey: NDRCZEXDLSMZOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl[3-(fluoromethyl)pentan-3-yl]amine
• IUPAC Traditional name: benzyl[3-(fluoromethyl)pentan-3-yl]amine
• Synonyms: benzyl[3-(fluoromethyl)pentan-3-yl]amine

Database IDs

• MDL Number: MFCD20233529
• PubChem SID: 164334729
• PubChem CID: 54595003

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.5323732
• LogD (pH = 7.4): 2.1166599
• Log P: 3.4747808
• Molar Refractivity: 62.0112 cm^3
• Polarizability: 24.426216 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.528

Product Information

• Purity: 95%