(4-ethylphenyl)(3-fluorophenyl)methanamine

• ChemBase ID: 249227
• Molecular Formular: C15H16FN
• Molecular Mass: 229.2926432
• Monoisotopic Mass: 229.12667774
• SMILES: c1(C(c2ccc(cc2)CC)N)cc(F)ccc1
• Canonical SMILES: CCc1ccc(cc1)C(c1cccc(c1)F)N
• InChI: InChI=1S/C15H16FN/c1-2-11-6-8-12(9-7-11)15(17)13-4-3-5-14(16)10-13/h3-10,15H,2,17H2,1H3
• InChIKey: XSLJZWFJXPANEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-ethylphenyl)(3-fluorophenyl)methanamine
• IUPAC Traditional name: (4-ethylphenyl)(3-fluorophenyl)methanamine
• Synonyms: (4-ethylphenyl)(3-fluorophenyl)methylamine

Database IDs

• MDL Number: MFCD06655634
• PubChem SID: 164305137
• PubChem CID: 4962204

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.0998656
• LogD (pH = 7.4): 2.4637783
• Log P: 3.9839463
• Molar Refractivity: 68.6728 cm^3
• Polarizability: 26.551792 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.613

Product Information

• Purity: 95%