methyl({[2-(morpholin-4-ylmethyl)phenyl]methyl})amine

• ChemBase ID: 101302
• Molecular Formular: C13H20N2O
• Molecular Mass: 220.3107
• Monoisotopic Mass: 220.15756327
• SMILES: N1(Cc2c(CNC)cccc2)CCOCC1
• Canonical SMILES: CNCc1ccccc1CN1CCOCC1
• InChI: InChI=1S/C13H20N2O/c1-14-10-12-4-2-3-5-13(12)11-15-6-8-16-9-7-15/h2-5,14H,6-11H2,1H3
• InChIKey: JDNFUXILVHKZKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({[2-(morpholin-4-ylmethyl)phenyl]methyl})amine
• IUPAC Traditional name: methyl({[2-(morpholin-4-ylmethyl)phenyl]methyl})amine
• Synonyms: N-methyl-N-[2-(morpholin-4-ylmethyl)benzyl]amine

Database IDs

• CAS Number: 871825-58-0
• MDL Number: MFCD08060624
• PubChem SID: 162086793
• PubChem CID: 18525827

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.437848
• LogD (pH = 7.4): -1.0803016
• Log P: 1.254491
• Molar Refractivity: 66.9232 cm^3
• Polarizability: 26.246565 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95%