2-amino-N-ethyl-N-[(2-methylphenyl)methyl]pentanamide hydrochloride

• ChemBase ID: 242326
• Molecular Formular: C15H25ClN2O
• Molecular Mass: 284.8248
• Monoisotopic Mass: 284.16554111
• SMILES: C(=O)(N(Cc1c(C)cccc1)CC)C(N)CCC.Cl
• Canonical SMILES: CCCC(C(=O)N(Cc1ccccc1C)CC)N.Cl
• InChI: InChI=1S/C15H24N2O.ClH/c1-4-8-14(16)15(18)17(5-2)11-13-10-7-6-9-12(13)3;/h6-7,9-10,14H,4-5,8,11,16H2,1-3H3;1H
• InChIKey: YELJUDBKDAOWAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-ethyl-N-[(2-methylphenyl)methyl]pentanamide hydrochloride
• IUPAC Traditional name: 2-amino-N-ethyl-N-[(2-methylphenyl)methyl]pentanamide hydrochloride
• Synonyms: 2-amino-N-ethyl-N-[(2-methylphenyl)methyl]pentanamide hydrochloride

Database IDs

• MDL Number: MFCD22566033
• PubChem SID: 164298236
• PubChem CID: 71756997

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.05602306
• LogD (pH = 7.4): 1.5565482
• Log P: 2.6234918
• Molar Refractivity: 75.6403 cm^3
• Polarizability: 29.573893 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.874

Product Information

• Purity: 95%