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

• ChemBase ID: 263163
• Molecular Formular: C12H20ClN
• Molecular Mass: 213.7469
• Monoisotopic Mass: 213.12842733
• SMILES: c1(ccc(cc1)C)C(NCC)CC.Cl
• Canonical SMILES: CCNC(c1ccc(cc1)C)CC.Cl
• InChI: InChI=1S/C12H19N.ClH/c1-4-12(13-5-2)11-8-6-10(3)7-9-11;/h6-9,12-13H,4-5H2,1-3H3;1H
• InChIKey: FQNPIXUGRXCFIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13195993
• PubChem SID: 164319073
• PubChem CID: 45792260

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%