({2-[2-(dimethylamino)ethoxy]phenyl}methyl)(methyl)amine

• ChemBase ID: 101335
• Molecular Formular: C12H20N2O
• Molecular Mass: 208.3
• Monoisotopic Mass: 208.15756327
• SMILES: c1(c(OCCN(C)C)cccc1)CNC
• Canonical SMILES: CNCc1ccccc1OCCN(C)C
• InChI: InChI=1S/C12H20N2O/c1-13-10-11-6-4-5-7-12(11)15-9-8-14(2)3/h4-7,13H,8-10H2,1-3H3
• InChIKey: WHBYXCTXAOHVPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ({2-[2-(dimethylamino)ethoxy]phenyl}methyl)(methyl)amine
• IUPAC Traditional name: ({2-[2-(dimethylamino)ethoxy]phenyl}methyl)(methyl)amine
• Synonyms: N-methyl-2-[2-(dimethylamino)ethoxy]benzylamine

Database IDs

• CAS Number: 884507-33-9
• MDL Number: MFCD08690293
• PubChem SID: 162086772
• PubChem CID: 18525858

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.7328997
• LogD (pH = 7.4): -1.6233836
• Log P: 1.3925679
• Molar Refractivity: 63.7883 cm^3
• Polarizability: 25.126122 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95%