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

• ChemBase ID: 307550
• Molecular Formular: C11H17N
• Molecular Mass: 163.25938
• Monoisotopic Mass: 163.13609955
• SMILES: c1(CNC(C)C)c(C)cccc1
• Canonical SMILES: CC(NCc1ccccc1C)C
• InChI: InChI=1S/C11H17N/c1-9(2)12-8-11-7-5-4-6-10(11)3/h4-7,9,12H,8H2,1-3H3
• InChIKey: UZZWRYCILDHXEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 91338-98-6
• MDL Number: MFCD08060639

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.394675
• LogD (pH = 7.4): 0.38647896
• Log P: 2.818399
• Molar Refractivity: 53.5146 cm^3
• Polarizability: 21.055687 Å^3
• Polar Surface Area: 12.03 Å^2