dimethyl[(2R)-2-phenyl-1-[(3,4,5-trimethoxyphenyl)methoxy]butan-2-yl]amine

• ChemBase ID: 127391
• Molecular Formular: C22H31NO4
• Molecular Mass: 373.48584
• Monoisotopic Mass: 373.22530848
• SMILES: O(c1cc(cc(OC)c1OC)COC[C@@](c1ccccc1)(N(C)C)CC)C
• Canonical SMILES: CC[C@](c1ccccc1)(N(C)C)COCc1cc(OC)c(c(c1)OC)OC
• InChI: InChI=1S/C22H31NO4/c1-7-22(23(2)3,18-11-9-8-10-12-18)16-27-15-17-13-19(24-4)21(26-6)20(14-17)25-5/h8-14H,7,15-16H2,1-6H3/t22-/m0/s1
• InChIKey: MVKIWCDXKCUDEH-QFIPXVFZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl[(2R)-2-phenyl-1-[(3,4,5-trimethoxyphenyl)methoxy]butan-2-yl]amine
• IUPAC Traditional name: dimethyl[(2R)-2-phenyl-1-[(3,4,5-trimethoxyphenyl)methoxy]butan-2-yl]amine
• Synonyms: Fedotozine

Database IDs

• CAS Number: 123618-00-8
• PubChem SID: 162221712
• PubChem CID: 6918160
• Chemspider ID: 5293373
• Wikipedia Title: Fedotozine

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.685099
• LogD (pH = 7.4): 2.1624806
• Log P: 3.9819925
• Molar Refractivity: 108.4788 cm^3
• Polarizability: 42.5818 Å^3
• Polar Surface Area: 40.16 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Admin Routes: Oral
• Legal Status: Non-regulated