ethyl[(1S)-1-[(2S)-oxolan-2-yl]-2-phenylethyl]amine

• ChemBase ID: 130328
• Molecular Formular: C14H21NO
• Molecular Mass: 219.32264
• Monoisotopic Mass: 219.1623143
• SMILES: CCN[C@@H](Cc1ccccc1)[C@H]1OCCC1
• Canonical SMILES: CCN[C@H]([C@@H]1CCCO1)Cc1ccccc1
• InChI: InChI=1S/C14H21NO/c1-2-15-13(14-9-6-10-16-14)11-12-7-4-3-5-8-12/h3-5,7-8,13-15H,2,6,9-11H2,1H3/t13-,14-/m0/s1
• InChIKey: DOFCLOLKFGSRTG-KBPBESRZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl[(1S)-1-[(2S)-oxolan-2-yl]-2-phenylethyl]amine
• IUPAC Traditional name: ethyl[(1S)-1-[(2S)-oxolan-2-yl]-2-phenylethyl]amine
• Synonyms: Zylofuramine

Database IDs

• CAS Number: 3563-92-6
• PubChem SID: 162224607
• PubChem CID: 71129; 71308304
• Chemspider ID: 64277
• Unique Ingredient Identifier: 8N66VC535R
• Wikipedia Title: Zylofuramine

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.5485025
• LogD (pH = 7.4): 0.33002377
• Log P: 2.6554198
• Molar Refractivity: 66.7345 cm^3
• Polarizability: 26.499018 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true