4-phenyl-3-[4-(propan-2-yloxy)phenyl]butan-1-amine

• ChemBase ID: 193221
• Molecular Formular: C19H25NO
• Molecular Mass: 283.4079
• Monoisotopic Mass: 283.19361443
• SMILES: c1(C(Cc2ccccc2)CCN)ccc(OC(C)C)cc1
• Canonical SMILES: NCCC(c1ccc(cc1)OC(C)C)Cc1ccccc1
• InChI: InChI=1S/C19H25NO/c1-15(2)21-19-10-8-17(9-11-19)18(12-13-20)14-16-6-4-3-5-7-16/h3-11,15,18H,12-14,20H2,1-2H3
• InChIKey: PWJVIIWTUGCWHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-phenyl-3-[4-(propan-2-yloxy)phenyl]butan-1-amine
• IUPAC Traditional name: 3-(4-isopropoxyphenyl)-4-phenylbutan-1-amine

Database IDs

• PubChem SID: 164249131
• PubChem CID: 3546292

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2936163
• LogD (pH = 7.4): 1.8219041
• Log P: 4.3133473
• Molar Refractivity: 88.7626 cm^3
• Polarizability: 34.93074 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds