2-methyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine

• ChemBase ID: 249789
• Molecular Formular: C14H23N
• Molecular Mass: 205.33912
• Monoisotopic Mass: 205.18304974
• SMILES: C(c1ccc(cc1)CC(C)C)(N)C(C)C
• Canonical SMILES: CC(Cc1ccc(cc1)C(C(C)C)N)C
• InChI: InChI=1S/C14H23N/c1-10(2)9-12-5-7-13(8-6-12)14(15)11(3)4/h5-8,10-11,14H,9,15H2,1-4H3
• InChIKey: HFNQOEAJQAHGHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine
• IUPAC Traditional name: 2-methyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine
• Synonyms: 1-(4-isobutylphenyl)-2-methylpropan-1-amine

Database IDs

• MDL Number: MFCD07323202
• PubChem SID: 164305699
• PubChem CID: 4962686

CALCULATED PROPERTIES

• LogD (pH = 5.5): 1.0798889
• LogD (pH = 7.4): 1.7404411
• Log P: 4.0926623
• Molar Refractivity: 66.7376 cm^3
• Polarizability: 26.594582 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 1

PROPERTIES

Physical Property

• Melting Point: 16 - 18°C
• Hydrophobicity(logP): 4.287

Product Information

• Purity: 95%