(2-methylpropyl)(1-phenylpropyl)amine hydrochloride

• ChemBase ID: 273497
• Molecular Formular: C13H22ClN
• Molecular Mass: 227.77348
• Monoisotopic Mass: 227.14407739
• SMILES: N(C(c1ccccc1)CC)CC(C)C.Cl
• Canonical SMILES: CCC(c1ccccc1)NCC(C)C.Cl
• InChI: InChI=1S/C13H21N.ClH/c1-4-13(14-10-11(2)3)12-8-6-5-7-9-12;/h5-9,11,13-14H,4,10H2,1-3H3;1H
• InChIKey: LEHFIORVUPJRFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methylpropyl)(1-phenylpropyl)amine hydrochloride
• IUPAC Traditional name: (2-methylpropyl)(1-phenylpropyl)amine hydrochloride
• Synonyms: (2-methylpropyl)(1-phenylpropyl)amine hydrochloride

Database IDs

• MDL Number: MFCD18785492
• PubChem SID: 164329407
• PubChem CID: 53520987

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.48463023
• LogD (pH = 7.4): 0.9724148
• Log P: 3.7149951
• Molar Refractivity: 61.993 cm^3
• Polarizability: 24.83122 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 236 - 238°C
• Hydrophobicity(logP): 3.805

Product Information

• Purity: 95%