[2-amino-1-(2,6-difluorophenyl)ethyl]dimethylamine

• ChemBase ID: 275395
• Molecular Formular: C10H14F2N2
• Molecular Mass: 200.2283664
• Monoisotopic Mass: 200.1125049
• SMILES: c1(C(N(C)C)CN)c(F)cccc1F
• Canonical SMILES: NCC(c1c(F)cccc1F)N(C)C
• InChI: InChI=1S/C10H14F2N2/c1-14(2)9(6-13)10-7(11)4-3-5-8(10)12/h3-5,9H,6,13H2,1-2H3
• InChIKey: LVMBNFUVGSAFBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-amino-1-(2,6-difluorophenyl)ethyl]dimethylamine
• IUPAC Traditional name: [2-amino-1-(2,6-difluorophenyl)ethyl]dimethylamine
• Synonyms: [2-amino-1-(2,6-difluorophenyl)ethyl]dimethylamine

Database IDs

• MDL Number: MFCD09731701
• PubChem SID: 164331305
• PubChem CID: 16784955

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4049392
• LogD (pH = 7.4): 0.14271955
• Log P: 1.4628297
• Molar Refractivity: 52.6535 cm^3
• Polarizability: 20.078655 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.599

Product Information

• Purity: 95%