benzyl({3-phenyl-3-[4-(propan-2-yloxy)phenyl]propyl})amine

• ChemBase ID: 191130
• Molecular Formular: C25H29NO
• Molecular Mass: 359.50386
• Monoisotopic Mass: 359.22491455
• SMILES: c1(C(c2ccccc2)CCNCc2ccccc2)ccc(OC(C)C)cc1
• Canonical SMILES: CC(Oc1ccc(cc1)C(c1ccccc1)CCNCc1ccccc1)C
• InChI: InChI=1S/C25H29NO/c1-20(2)27-24-15-13-23(14-16-24)25(22-11-7-4-8-12-22)17-18-26-19-21-9-5-3-6-10-21/h3-16,20,25-26H,17-19H2,1-2H3
• InChIKey: JVBCOQSAKYKBSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl({3-phenyl-3-[4-(propan-2-yloxy)phenyl]propyl})amine
• IUPAC Traditional name: benzyl[3-(4-isopropoxyphenyl)-3-phenylpropyl]amine

Database IDs

• PubChem SID: 164247040
• PubChem CID: 3757196

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.8071551
• LogD (pH = 7.4): 3.5142424
• Log P: 6.0258327
• Molar Refractivity: 113.5488 cm^3
• Polarizability: 44.648724 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds