(3-methoxypropyl)[(4-methylphenyl)methyl]amine

• ChemBase ID: 306790
• Molecular Formular: C12H19NO
• Molecular Mass: 193.28536
• Monoisotopic Mass: 193.14666423
• SMILES: N(CCCOC)Cc1ccc(cc1)C
• Canonical SMILES: COCCCNCc1ccc(cc1)C
• InChI: InChI=1S/C12H19NO/c1-11-4-6-12(7-5-11)10-13-8-3-9-14-2/h4-7,13H,3,8-10H2,1-2H3
• InChIKey: ZQLARNYZMHSPBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-methoxypropyl)[(4-methylphenyl)methyl]amine
• IUPAC Traditional name: (3-methoxypropyl)[(4-methylphenyl)methyl]amine
• Synonyms: (3-methoxypropyl)(4-methylbenzyl)amine

Database IDs

• CAS Number: 884497-41-0
• MDL Number: MFCD05863660

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1447278
• LogD (pH = 7.4): -0.25511014
• Log P: 2.0580003
• Molar Refractivity: 60.2561 cm^3
• Polarizability: 23.542896 Å^3
• Polar Surface Area: 21.26 Å^2