ethyl[1-(4-methoxyphenyl)propyl]amine

• ChemBase ID: 307821
• Molecular Formular: C12H19NO
• Molecular Mass: 193.28536
• Monoisotopic Mass: 193.14666423
• SMILES: c1(ccc(cc1)OC)C(NCC)CC
• Canonical SMILES: CCNC(c1ccc(cc1)OC)CC
• InChI: InChI=1S/C12H19NO/c1-4-12(13-5-2)10-6-8-11(14-3)9-7-10/h6-9,12-13H,4-5H2,1-3H3
• InChIKey: XBFZYRMVEHPXLF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl[1-(4-methoxyphenyl)propyl]amine
• IUPAC Traditional name: ethyl[1-(4-methoxyphenyl)propyl]amine
• Synonyms: N-ethyl-1-(4-methoxyphenyl)propan-1-amine

Database IDs

• CAS Number: 40023-81-2
• MDL Number: MFCD06644227

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.5435618
• LogD (pH = 7.4): 0.23375358
• Log P: 2.6698287
• Molar Refractivity: 59.4606 cm^3
• Polarizability: 23.60505 Å^3
• Polar Surface Area: 21.26 Å^2