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

• ChemBase ID: 312674
• Molecular Formular: C12H19NO
• Molecular Mass: 193.28536
• Monoisotopic Mass: 193.14666423
• SMILES: N(Cc1cc(OC)ccc1)CC(C)C
• Canonical SMILES: COc1cccc(c1)CNCC(C)C
• InChI: InChI=1S/C12H19NO/c1-10(2)8-13-9-11-5-4-6-12(7-11)14-3/h4-7,10,13H,8-9H2,1-3H3
• InChIKey: YSWWWWWQNTUHPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(3-methoxyphenyl)methyl](2-methylpropyl)amine
• IUPAC Traditional name: [(3-methoxyphenyl)methyl](2-methylpropyl)amine
• Synonyms: N-(3-methoxybenzyl)-2-methyl-1-propanamine

Database IDs

• CAS Number: 893576-11-9
• MDL Number: MFCD07405944

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.5949745
• LogD (pH = 7.4): 0.18464303
• Log P: 2.6182265
• Molar Refractivity: 59.5134 cm^3
• Polarizability: 23.60558 Å^3
• Polar Surface Area: 21.26 Å^2