4-[3-(4-butoxyphenoxy)propyl]morpholine

• ChemBase ID: 129091
• Molecular Formular: C17H27NO3
• Molecular Mass: 293.40118
• Monoisotopic Mass: 293.19909373
• SMILES: O(c1ccc(OCCCN2CCOCC2)cc1)CCCC
• Canonical SMILES: CCCCOc1ccc(cc1)OCCCN1CCOCC1
• InChI: InChI=1S/C17H27NO3/c1-2-3-12-20-16-5-7-17(8-6-16)21-13-4-9-18-10-14-19-15-11-18/h5-8H,2-4,9-15H2,1H3
• InChIKey: DQKXQSGTHWVTAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[3-(4-butoxyphenoxy)propyl]morpholine
• IUPAC Traditional name: pramoxine
• Synonyms: Pramocaine

Database IDs

• CAS Number: 140-65-8
• PubChem SID: 162223390
• PubChem CID: 4886
• CHEBI ID: 8357
• ATC CODE: C05AD07; D04AB07
• CHEMBL: 1198
• Chemspider ID: 4717
• Unique Ingredient Identifier: 068X84E056
• Wikipedia Title: Pramocaine
• Medline Plus: a682429

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.2722777
• LogD (pH = 7.4): 2.6775775
• Log P: 2.841906
• Molar Refractivity: 84.817 cm^3
• Polarizability: 33.426414 Å^3
• Polar Surface Area: 30.93 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Admin Routes: Topical, rectal
• Legal Status: (with hydrocortisone); OTC (Canada); POM (UK); Rx-only (US)