1-[2-(difluoromethoxy)phenyl]propan-1-amine

• ChemBase ID: 256922
• Molecular Formular: C10H13F2NO
• Molecular Mass: 201.2131264
• Monoisotopic Mass: 201.09652048
• SMILES: c1(c(C(N)CC)cccc1)OC(F)F
• Canonical SMILES: CCC(c1ccccc1OC(F)F)N
• InChI: InChI=1S/C10H13F2NO/c1-2-8(13)7-5-3-4-6-9(7)14-10(11)12/h3-6,8,10H,2,13H2,1H3
• InChIKey: NORQOYHWPYKECS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(difluoromethoxy)phenyl]propan-1-amine
• IUPAC Traditional name: 1-[2-(difluoromethoxy)phenyl]propan-1-amine
• Synonyms: 1-[2-(difluoromethoxy)phenyl]propan-1-amine

Database IDs

• MDL Number: MFCD09738126
• PubChem SID: 164312832
• PubChem CID: 16791330

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.14337273
• LogD (pH = 7.4): 1.0140935
• Log P: 2.8071988
• Molar Refractivity: 49.9463 cm^3
• Polarizability: 19.33694 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%