1-[4-(difluoromethoxy)phenyl]propan-1-amine

• ChemBase ID: 240759
• Molecular Formular: C10H13F2NO
• Molecular Mass: 201.2131264
• Monoisotopic Mass: 201.09652048
• SMILES: C(Oc1ccc(cc1)C(N)CC)(F)F
• Canonical SMILES: CCC(c1ccc(cc1)OC(F)F)N
• InChI: InChI=1S/C10H13F2NO/c1-2-9(13)7-3-5-8(6-4-7)14-10(11)12/h3-6,9-10H,2,13H2,1H3
• InChIKey: MIFMZIPFCNEFBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[4-(difluoromethoxy)phenyl]propan-1-amine
• IUPAC Traditional name: 1-[4-(difluoromethoxy)phenyl]propan-1-amine
• Synonyms: 1-[4-(difluoromethoxy)phenyl]propan-1-amine

Database IDs

• MDL Number: MFCD09732334
• PubChem SID: 164296669
• PubChem CID: 16785593

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.19977975
• LogD (pH = 7.4): 0.5453358
• Log P: 2.8071988
• Molar Refractivity: 49.9463 cm^3
• Polarizability: 19.336697 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.297

Product Information

• Purity: 95%