cyclopropyl(4-fluoro-3-methylphenyl)methanamine

• ChemBase ID: 244329
• Molecular Formular: C11H14FN
• Molecular Mass: 179.2339632
• Monoisotopic Mass: 179.11102767
• SMILES: C1(CC1)C(c1cc(c(cc1)F)C)N
• Canonical SMILES: NC(c1ccc(c(c1)C)F)C1CC1
• InChI: InChI=1S/C11H14FN/c1-7-6-9(4-5-10(7)12)11(13)8-2-3-8/h4-6,8,11H,2-3,13H2,1H3
• InChIKey: QFYKJOSJBBLCAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopropyl(4-fluoro-3-methylphenyl)methanamine
• IUPAC Traditional name: cyclopropyl(4-fluoro-3-methylphenyl)methanamine
• Synonyms: cyclopropyl(4-fluoro-3-methylphenyl)methanamine

Database IDs

• MDL Number: MFCD10018234
• PubChem SID: 164300239
• PubChem CID: 62789655

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.41428313
• LogD (pH = 7.4): 0.29237765
• Log P: 2.5954819
• Molar Refractivity: 51.4012 cm^3
• Polarizability: 19.901005 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.489

Product Information

• Purity: 95%