cyclopropyl(4-methoxyphenyl)methanamine

• ChemBase ID: 252157
• Molecular Formular: C11H15NO
• Molecular Mass: 177.2429
• Monoisotopic Mass: 177.11536411
• SMILES: C1(CC1)C(c1ccc(cc1)OC)N
• Canonical SMILES: COc1ccc(cc1)C(C1CC1)N
• InChI: InChI=1S/C11H15NO/c1-13-10-6-4-9(5-7-10)11(12)8-2-3-8/h4-8,11H,2-3,12H2,1H3
• InChIKey: IVVASFZJFLBRPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopropyl(4-methoxyphenyl)methanamine
• IUPAC Traditional name: cyclopropyl(4-methoxyphenyl)methanamine
• Synonyms: 1-cyclopropyl-1-(4-methoxyphenyl)methanamine

Database IDs

• CAS Number: 54398-65-1
• MDL Number: MFCD00044830
• PubChem SID: 164308067
• PubChem CID: 2723779

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2285025
• LogD (pH = 7.4): -0.5280407
• Log P: 1.7816874
• Molar Refractivity: 52.6068 cm^3
• Polarizability: 21.020067 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 207 - 209°C
• Hydrophobicity(logP): 1.766

Product Information

• Purity: 95%