[(4-methylphenyl)methyl](propan-2-yl)amine

• ChemBase ID: 307552
• Molecular Formular: C11H17N
• Molecular Mass: 163.25938
• Monoisotopic Mass: 163.13609955
• SMILES: N(Cc1ccc(cc1)C)C(C)C
• Canonical SMILES: CC(NCc1ccc(cc1)C)C
• InChI: InChI=1S/C11H17N/c1-9(2)12-8-11-6-4-10(3)5-7-11/h4-7,9,12H,8H2,1-3H3
• InChIKey: OOCHMURHBNXLEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-methylphenyl)methyl](propan-2-yl)amine
• IUPAC Traditional name: isopropyl[(4-methylphenyl)methyl]amine
• Synonyms: N-(4-methylbenzyl)propan-2-amine

Database IDs

• CAS Number: 70894-75-6
• MDL Number: MFCD08060641

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.3952009
• LogD (pH = 7.4): 0.37955573
• Log P: 2.818399
• Molar Refractivity: 53.5146 cm^3
• Polarizability: 21.055412 Å^3
• Polar Surface Area: 12.03 Å^2