[3-(2,4-dimethylphenoxy)propyl](methyl)amine

• ChemBase ID: 312488
• Molecular Formular: C12H19NO
• Molecular Mass: 193.28536
• Monoisotopic Mass: 193.14666423
• SMILES: c1(c(ccc(c1)C)OCCCNC)C
• Canonical SMILES: CNCCCOc1ccc(cc1C)C
• InChI: InChI=1S/C12H19NO/c1-10-5-6-12(11(2)9-10)14-8-4-7-13-3/h5-6,9,13H,4,7-8H2,1-3H3
• InChIKey: VZROORFVXPJNPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(2,4-dimethylphenoxy)propyl](methyl)amine
• IUPAC Traditional name: [3-(2,4-dimethylphenoxy)propyl](methyl)amine
• Synonyms: 3-(2,4-dimethylphenoxy)-N-methyl-1-propanamine

Database IDs

• CAS Number: 91553-70-7
• MDL Number: MFCD08691944

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.68555534
• LogD (pH = 7.4): -0.05582508
• Log P: 2.5379736
• Molar Refractivity: 60.1934 cm^3
• Polarizability: 23.450615 Å^3
• Polar Surface Area: 21.26 Å^2