(3-methoxy-3,3-diphenylpropyl)(prop-2-en-1-yl)amine

• ChemBase ID: 125677
• Molecular Formular: C19H23NO
• Molecular Mass: 281.39202
• Monoisotopic Mass: 281.17796436
• SMILES: O(C)C(c1ccccc1)(c1ccccc1)CCNCC=C
• Canonical SMILES: COC(c1ccccc1)(c1ccccc1)CCNCC=C
• InChI: InChI=1S/C19H23NO/c1-3-15-20-16-14-19(21-2,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h3-13,20H,1,14-16H2,2H3
• InChIKey: QFSWEWNANAHUNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-methoxy-3,3-diphenylpropyl)(prop-2-en-1-yl)amine
• IUPAC Traditional name: (3-methoxy-3,3-diphenylpropyl)(prop-2-en-1-yl)amine
• Synonyms: Alimadol

Database IDs

• CAS Number: 52742-40-2
• PubChem SID: 162220027
• PubChem CID: 176882
• Chemspider ID: 154055
• Wikipedia Title: Alimadol

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.68670845
• LogD (pH = 7.4): 1.8511822
• Log P: 3.845118
• Molar Refractivity: 88.751 cm^3
• Polarizability: 34.867065 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true