[3-(4-ethylphenoxy)propyl](methyl)amine

• ChemBase ID: 312364
• Molecular Formular: C12H19NO
• Molecular Mass: 193.28536
• Monoisotopic Mass: 193.14666423
• SMILES: c1(ccc(cc1)CC)OCCCNC
• Canonical SMILES: CNCCCOc1ccc(cc1)CC
• InChI: InChI=1S/C12H19NO/c1-3-11-5-7-12(8-6-11)14-10-4-9-13-2/h5-8,13H,3-4,9-10H2,1-2H3
• InChIKey: OWJQTSTVRNGVKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 915920-72-8
• MDL Number: MFCD08753015

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.75440806
• LogD (pH = 7.4): -0.12467786
• Log P: 2.469121
• Molar Refractivity: 59.7532 cm^3
• Polarizability: 23.528828 Å^3
• Polar Surface Area: 21.26 Å^2