[(2-methylphenyl)methyl](propyl)amine

• ChemBase ID: 312380
• Molecular Formular: C11H17N
• Molecular Mass: 163.25938
• Monoisotopic Mass: 163.13609955
• SMILES: c1(c(C)cccc1)CNCCC
• Canonical SMILES: CCCNCc1ccccc1C
• InChI: InChI=1S/C11H17N/c1-3-8-12-9-11-7-5-4-6-10(11)2/h4-7,12H,3,8-9H2,1-2H3
• InChIKey: FTQVVVUFLSQTNK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-methylphenyl)methyl](propyl)amine
• IUPAC Traditional name: [(2-methylphenyl)methyl](propyl)amine
• Synonyms: (2-methylbenzyl)propylamine

Database IDs

• CAS Number: 807343-02-8
• MDL Number: MFCD07410290

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.29247645
• LogD (pH = 7.4): 0.44066745
• Log P: 2.9243464
• Molar Refractivity: 53.6198 cm^3
• Polarizability: 21.055687 Å^3
• Polar Surface Area: 12.03 Å^2