1-(2,4-difluorophenyl)-2,2-dimethylpropan-1-amine

• ChemBase ID: 237772
• Molecular Formular: C11H15F2N
• Molecular Mass: 199.2403064
• Monoisotopic Mass: 199.11725593
• SMILES: c1(c(cc(cc1)F)F)C(C(C)(C)C)N
• Canonical SMILES: Fc1ccc(c(c1)F)C(C(C)(C)C)N
• InChI: InChI=1S/C11H15F2N/c1-11(2,3)10(14)8-5-4-7(12)6-9(8)13/h4-6,10H,14H2,1-3H3
• InChIKey: OJOBBVRPQDBLPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,4-difluorophenyl)-2,2-dimethylpropan-1-amine
• IUPAC Traditional name: 1-(2,4-difluorophenyl)-2,2-dimethylpropan-1-amine
• Synonyms: 1-(2,4-difluorophenyl)-2,2-dimethylpropan-1-amine

Database IDs

• MDL Number: MFCD11148445
• PubChem SID: 164293682
• PubChem CID: 43197752

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.15324993
• LogD (pH = 7.4): 1.4429655
• Log P: 3.0664892
• Molar Refractivity: 52.7767 cm^3
• Polarizability: 20.38128 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.016

Product Information

• Purity: 95%