dimethyl[(1S)-3-(naphthalen-1-yloxy)-1-phenylpropyl]amine

• ChemBase ID: 130402
• Molecular Formular: C21H23NO
• Molecular Mass: 305.41342
• Monoisotopic Mass: 305.17796436
• SMILES: O(c1cccc2ccccc12)CC[C@@H](c1ccccc1)N(C)C
• Canonical SMILES: CN([C@H](c1ccccc1)CCOc1cccc2c1cccc2)C
• InChI: InChI=1S/C21H23NO/c1-22(2)20(18-10-4-3-5-11-18)15-16-23-21-14-8-12-17-9-6-7-13-19(17)21/h3-14,20H,15-16H2,1-2H3/t20-/m0/s1
• InChIKey: USRHYDPUVLEVMC-FQEVSTJZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl[(1S)-3-(naphthalen-1-yloxy)-1-phenylpropyl]amine
• IUPAC Traditional name: dapoxetine
• Brand Name: Kutub, Priligy, Duratia
• Synonyms: Dapoxetine

Database IDs

• CAS Number: 119356-77-3
• PubChem SID: 162224681
• PubChem CID: 71353
• ATC CODE: G04BX14
• Chemspider ID: 64453
• KEGG ID: D03649
• Unique Ingredient Identifier: GB2433A4M3
• Wikipedia Title: Dapoxetine

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.4468201
• LogD (pH = 7.4): 3.020529
• Log P: 4.667896
• Molar Refractivity: 96.1387 cm^3
• Polarizability: 39.01058 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Admin Routes: Oral
• Half Life: 1.5–1.6 h
• Legal Status: Rx-only