3-(2-ethoxyphenyl)propan-1-amine

• ChemBase ID: 307530
• Molecular Formular: C11H17NO
• Molecular Mass: 179.25878
• Monoisotopic Mass: 179.13101417
• SMILES: c1(c(CCCN)cccc1)OCC
• Canonical SMILES: NCCCc1ccccc1OCC
• InChI: InChI=1S/C11H17NO/c1-2-13-11-8-4-3-6-10(11)7-5-9-12/h3-4,6,8H,2,5,7,9,12H2,1H3
• InChIKey: ITVNSLFHPCLQQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-ethoxyphenyl)propan-1-amine
• IUPAC Traditional name: 3-(2-ethoxyphenyl)propan-1-amine
• Synonyms: 3-(2-ethoxyphenyl)-1-propanamine

Database IDs

• CAS Number: 937653-39-9
• MDL Number: MFCD09034632

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.9886072
• LogD (pH = 7.4): -0.46611807
• Log P: 2.031381
• Molar Refractivity: 55.0992 cm^3
• Polarizability: 21.683874 Å^3
• Polar Surface Area: 35.25 Å^2