1-[2-(3-methylbutoxy)-2-phenylethyl]pyrrolidine

• ChemBase ID: 125804
• Molecular Formular: C17H27NO
• Molecular Mass: 261.40238
• Monoisotopic Mass: 261.20926449
• SMILES: O(CCC(C)C)C(c1ccccc1)CN1CCCC1
• Canonical SMILES: CC(CCOC(c1ccccc1)CN1CCCC1)C
• InChI: InChI=1S/C17H27NO/c1-15(2)10-13-19-17(14-18-11-6-7-12-18)16-8-4-3-5-9-16/h3-5,8-9,15,17H,6-7,10-14H2,1-2H3
• InChIKey: ISRODTBNJUAWEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(3-methylbutoxy)-2-phenylethyl]pyrrolidine
• IUPAC Traditional name: amixetrine
• Synonyms: Amixetrine

Database IDs

• CAS Number: 24622-72-8
• PubChem SID: 162220151
• PubChem CID: 71911
• Chemspider ID: 64922
• Unique Ingredient Identifier: 7UL287YTPJ
• Wikipedia Title: Amixetrine

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.68721354
• LogD (pH = 7.4): 2.220388
• Log P: 3.9441497
• Molar Refractivity: 81.2776 cm^3
• Polarizability: 32.11292 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Admin Routes: Oral
• Legal Status: Rx-only