[(3-ethoxyphenyl)methyl](propyl)amine

• ChemBase ID: 312604
• Molecular Formular: C12H19NO
• Molecular Mass: 193.28536
• Monoisotopic Mass: 193.14666423
• SMILES: c1c(OCC)cccc1CNCCC
• Canonical SMILES: CCCNCc1cccc(c1)OCC
• InChI: InChI=1S/C12H19NO/c1-3-8-13-10-11-6-5-7-12(9-11)14-4-2/h5-7,9,13H,3-4,8,10H2,1-2H3
• InChIKey: FNWOKBGVCFEGBJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(3-ethoxyphenyl)methyl](propyl)amine
• IUPAC Traditional name: [(3-ethoxyphenyl)methyl](propyl)amine
• Synonyms: (3-ethoxybenzyl)propylamine

Database IDs

• CAS Number: 893582-85-9
• MDL Number: MFCD07405864

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.59137464
• LogD (pH = 7.4): 0.30989233
• Log P: 2.6100616
• Molar Refractivity: 59.7904 cm^3
• Polarizability: 23.605412 Å^3
• Polar Surface Area: 21.26 Å^2