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

• ChemBase ID: 808759
• Molecular Formular: C12H19N
• Molecular Mass: 177.28596
• Monoisotopic Mass: 177.15174961
• SMILES: N(C)CCCc1ccc(cc1)CC
• Canonical SMILES: CNCCCc1ccc(cc1)CC
• InChI: InChI=1S/C12H19N/c1-3-11-6-8-12(9-7-11)5-4-10-13-2/h6-9,13H,3-5,10H2,1-2H3
• InChIKey: WMBOADWZEBVXLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(4-ethylphenyl)propyl](methyl)amine
• IUPAC Traditional name: [3-(4-ethylphenyl)propyl](methyl)amine
• Synonyms: [3-(4-ETHYL-PHENYL)-PROPYL]-METHYL-AMINE

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.006996751
• LogD (pH = 7.4): 0.49428293
• Log P: 3.2228146
• Molar Refractivity: 58.3042 cm^3
• Polarizability: 22.822935 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%