(4-methoxyphenyl)(1-methyl-1H-imidazol-2-yl)methanamine

• ChemBase ID: 252078
• Molecular Formular: C12H15N3O
• Molecular Mass: 217.267
• Monoisotopic Mass: 217.12151212
• SMILES: c1(n(ccn1)C)C(c1ccc(cc1)OC)N
• Canonical SMILES: COc1ccc(cc1)C(c1nccn1C)N
• InChI: InChI=1S/C12H15N3O/c1-15-8-7-14-12(15)11(13)9-3-5-10(16-2)6-4-9/h3-8,11H,13H2,1-2H3
• InChIKey: NGFVORJRIAJDAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-methoxyphenyl)(1-methyl-1H-imidazol-2-yl)methanamine
• IUPAC Traditional name: (4-methoxyphenyl)(1-methylimidazol-2-yl)methanamine
• Synonyms: (4-methoxyphenyl)(1-methyl-1H-imidazol-2-yl)methylamine

Database IDs

• MDL Number: MFCD07850253
• PubChem SID: 164307988
• PubChem CID: 16227092

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.0525527
• LogD (pH = 7.4): 0.5765711
• Log P: 1.0561448
• Molar Refractivity: 62.531 cm^3
• Polarizability: 24.375147 Å^3
• Polar Surface Area: 53.07 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.206

Product Information

• Purity: 95%