{[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl}(methyl)amine

• ChemBase ID: 278132
• Molecular Formular: C14H22N2O2
• Molecular Mass: 250.33668
• Monoisotopic Mass: 250.16812795
• SMILES: c1(CN2CCOCC2)c(ccc(c1)CNC)OC
• Canonical SMILES: CNCc1ccc(c(c1)CN1CCOCC1)OC
• InChI: InChI=1S/C14H22N2O2/c1-15-10-12-3-4-14(17-2)13(9-12)11-16-5-7-18-8-6-16/h3-4,9,15H,5-8,10-11H2,1-2H3
• InChIKey: XKAKVVMZHNANNO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl}(methyl)amine
• IUPAC Traditional name: {[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl}(methyl)amine
• Synonyms: {[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl}(methyl)amine

Database IDs

• MDL Number: MFCD06801595
• PubChem SID: 164334042
• PubChem CID: 17216064

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.9015892
• LogD (pH = 7.4): -1.04965
• Log P: 1.0968196
• Molar Refractivity: 73.3864 cm^3
• Polarizability: 28.74699 Å^3
• Polar Surface Area: 33.73 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.176

Product Information

• Purity: 95%