1-(4-ethylphenyl)propan-2-amine

• ChemBase ID: 125432
• Molecular Formular: C11H17N
• Molecular Mass: 163.25938
• Monoisotopic Mass: 163.13609955
• SMILES: NC(C)Cc1ccc(cc1)CC
• Canonical SMILES: CCc1ccc(cc1)CC(N)C
• InChI: InChI=1S/C11H17N/c1-3-10-4-6-11(7-5-10)8-9(2)12/h4-7,9H,3,8,12H2,1-2H3
• InChIKey: VHFLVGIMDGXALR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-ethylphenyl)propan-2-amine
• IUPAC Traditional name: 4-ethylamphetamine
• Synonyms: 4-Ethylamphetamine

Database IDs

• PubChem SID: 162219782
• PubChem CID: 18070465
• Chemspider ID: 16826008
• Wikipedia Title: 4-Ethylamphetamine

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.25736883
• LogD (pH = 7.4): 0.2736454
• Log P: 2.7622406
• Molar Refractivity: 53.3474 cm^3
• Polarizability: 20.974993 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true