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

• ChemBase ID: 255547
• Molecular Formular: C12H19N
• Molecular Mass: 177.28596
• Monoisotopic Mass: 177.15174961
• SMILES: c1(ccc(cc1)C)C(NCC)CC
• Canonical SMILES: CCNC(c1ccc(cc1)C)CC
• InChI: InChI=1S/C12H19N/c1-4-12(13-5-2)11-8-6-10(3)7-9-11/h6-9,12-13H,4-5H2,1-3H3
• InChIKey: GPQNRBJEJPCEAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09951408
• PubChem SID: 164311457
• PubChem CID: 24711519

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.119737536
• LogD (pH = 7.4): 0.78869927
• Log P: 3.3409214
• Molar Refractivity: 58.0386 cm^3
• Polarizability: 22.90187 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.376

Product Information

• Purity: 95%