[(2-methoxyphenyl)methyl](1-methoxypropan-2-yl)amine

• ChemBase ID: 24084
• Molecular Formular: C12H19NO2
• Molecular Mass: 209.28476
• Monoisotopic Mass: 209.14157885
• SMILES: c1(CNC(COC)C)c(OC)cccc1
• Canonical SMILES: COCC(NCc1ccccc1OC)C
• InChI: InChI=1S/C12H19NO2/c1-10(9-14-2)13-8-11-6-4-5-7-12(11)15-3/h4-7,10,13H,8-9H2,1-3H3
• InChIKey: DXCDSZMJJVOLIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-methoxyphenyl)methyl](1-methoxypropan-2-yl)amine
• IUPAC Traditional name: [(2-methoxyphenyl)methyl](1-methoxypropan-2-yl)amine
• Synonyms: (2-Methoxy-benzyl)-(2-methoxy-1-methyl-ethyl)-amine; (2-methoxybenzyl)(2-methoxy-1-methylethyl)amine

Database IDs

• CAS Number: 355818-30-3
• MDL Number: MFCD01817787
• PubChem SID: 160987391
• PubChem CID: 2853071

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.1182544
• LogD (pH = 7.4): 0.52530897
• Log P: 1.7435229
• Molar Refractivity: 61.2315 cm^3
• Polarizability: 24.271797 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false