{[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]methyl}(oxolan-2-ylmethyl)amine hydrochloride

• ChemBase ID: 235943
• Molecular Formular: C16H24ClNO3
• Molecular Mass: 313.81966
• Monoisotopic Mass: 313.14447131
• SMILES: c1(c(ccc(c1)CNCC1OCCC1)OCC=C)OC.Cl
• Canonical SMILES: C=CCOc1ccc(cc1OC)CNCC1CCCO1.Cl
• InChI: InChI=1S/C16H23NO3.ClH/c1-3-8-20-15-7-6-13(10-16(15)18-2)11-17-12-14-5-4-9-19-14;/h3,6-7,10,14,17H,1,4-5,8-9,11-12H2,2H3;1H
• InChIKey: ZOCFEJGNVGCQCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]methyl}(oxolan-2-ylmethyl)amine hydrochloride
• IUPAC Traditional name: {[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]methyl}(oxolan-2-ylmethyl)amine hydrochloride
• Synonyms: N-[4-(allyloxy)-3-methoxybenzyl]-N-(tetrahydrofuran-2-ylmethyl)amine hydrochloride

Database IDs

• MDL Number: MFCD07106386
• PubChem SID: 164291853
• PubChem CID: 6458928

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.70578957
• LogD (pH = 7.4): 0.70716816
• Log P: 2.366091
• Molar Refractivity: 79.6498 cm^3
• Polarizability: 31.340963 Å^3
• Polar Surface Area: 39.72 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.555

Product Information

• Purity: 95%
• Salt Data: HCl