butyl[(2-methylphenyl)methyl]amine

• ChemBase ID: 312279
• Molecular Formular: C12H19N
• Molecular Mass: 177.28596
• Monoisotopic Mass: 177.15174961
• SMILES: c1(c(C)cccc1)CNCCCC
• Canonical SMILES: CCCCNCc1ccccc1C
• InChI: InChI=1S/C12H19N/c1-3-4-9-13-10-12-8-6-5-7-11(12)2/h5-8,13H,3-4,9-10H2,1-2H3
• InChIKey: MACCIKTTYKTPKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: butyl[(2-methylphenyl)methyl]amine
• IUPAC Traditional name: butyl[(2-methylphenyl)methyl]amine
• Synonyms: N-(2-methylbenzyl)-1-butanamine

Database IDs

• CAS Number: 60509-42-4
• MDL Number: MFCD07407518

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.15103143
• LogD (pH = 7.4): 0.8694773
• Log P: 3.368915
• Molar Refractivity: 58.2208 cm^3
• Polarizability: 22.902655 Å^3
• Polar Surface Area: 12.03 Å^2