N-[(2,4-difluorophenyl)methyl]cyclopropanamine

• ChemBase ID: 255604
• Molecular Formular: C10H11F2N
• Molecular Mass: 183.1978464
• Monoisotopic Mass: 183.0859558
• SMILES: c1(c(CNC2CC2)ccc(c1)F)F
• Canonical SMILES: Fc1ccc(c(c1)F)CNC1CC1
• InChI: InChI=1S/C10H11F2N/c11-8-2-1-7(10(12)5-8)6-13-9-3-4-9/h1-2,5,9,13H,3-4,6H2
• InChIKey: QJOVQCIVJHQJJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2,4-difluorophenyl)methyl]cyclopropanamine
• IUPAC Traditional name: N-[(2,4-difluorophenyl)methyl]cyclopropanamine
• Synonyms: N-[(2,4-difluorophenyl)methyl]cyclopropanamine

Database IDs

• MDL Number: MFCD09046195
• PubChem SID: 164311514
• PubChem CID: 16773823

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.49188673
• LogD (pH = 7.4): 1.1940122
• Log P: 2.282563
• Molar Refractivity: 46.95 cm^3
• Polarizability: 17.837248 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.15

Product Information

• Purity: 95%