[1-(4-chlorophenyl)ethyl]({3-phenyl-3-[4-(propan-2-yloxy)phenyl]propyl})amine

• ChemBase ID: 191089
• Molecular Formular: C26H30ClNO
• Molecular Mass: 407.9755
• Monoisotopic Mass: 407.20159227
• SMILES: c1(C(c2ccccc2)CCNC(c2ccc(cc2)Cl)C)ccc(OC(C)C)cc1
• Canonical SMILES: CC(Oc1ccc(cc1)C(c1ccccc1)CCNC(c1ccc(cc1)Cl)C)C
• InChI: InChI=1S/C26H30ClNO/c1-19(2)29-25-15-11-23(12-16-25)26(22-7-5-4-6-8-22)17-18-28-20(3)21-9-13-24(27)14-10-21/h4-16,19-20,26,28H,17-18H2,1-3H3
• InChIKey: FSUDPOHGCXEWQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(4-chlorophenyl)ethyl]({3-phenyl-3-[4-(propan-2-yloxy)phenyl]propyl})amine
• IUPAC Traditional name: [1-(4-chlorophenyl)ethyl][3-(4-isopropoxyphenyl)-3-phenylpropyl]amine

Database IDs

• PubChem SID: 164246999
• PubChem CID: 3842787

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.8310828
• LogD (pH = 7.4): 4.583531
• Log P: 7.046452
• Molar Refractivity: 122.7724 cm^3
• Polarizability: 48.28383 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