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

• ChemBase ID: 258767
• Molecular Formular: C11H16FN
• Molecular Mass: 181.2498432
• Monoisotopic Mass: 181.12667774
• SMILES: C(C(C)(C)C)(c1ccc(cc1)F)N
• Canonical SMILES: NC(C(C)(C)C)c1ccc(cc1)F
• InChI: InChI=1S/C11H16FN/c1-11(2,3)10(13)8-4-6-9(12)7-5-8/h4-7,10H,13H2,1-3H3
• InChIKey: ZUCBPXHMAQFYAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09812079
• PubChem SID: 164314677
• PubChem CID: 24688686

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.06179373
• LogD (pH = 7.4): 0.895482
• Log P: 2.9237874
• Molar Refractivity: 52.5603 cm^3
• Polarizability: 20.70774 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.873

Product Information

• Purity: 95%