[(2-methoxyphenyl)methyl](2-methylpropyl)amine

• ChemBase ID: 307719
• Molecular Formular: C12H19NO
• Molecular Mass: 193.28536
• Monoisotopic Mass: 193.14666423
• SMILES: c1(c(OC)cccc1)CNCC(C)C
• Canonical SMILES: COc1ccccc1CNCC(C)C
• InChI: InChI=1S/C12H19NO/c1-10(2)8-13-9-11-6-4-5-7-12(11)14-3/h4-7,10,13H,8-9H2,1-3H3
• InChIKey: ISFFDNRXIWXMSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-methoxyphenyl)methyl](2-methylpropyl)amine
• IUPAC Traditional name: [(2-methoxyphenyl)methyl](2-methylpropyl)amine
• Synonyms: N-(2-methoxybenzyl)-2-methylpropan-1-amine

Database IDs

• CAS Number: 869942-72-3
• MDL Number: MFCD04488824

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.5475579
• LogD (pH = 7.4): 0.5833602
• Log P: 2.6182265
• Molar Refractivity: 59.5134 cm^3
• Polarizability: 23.605797 Å^3
• Polar Surface Area: 21.26 Å^2