butyl[(4-methylphenyl)methyl]amine

• ChemBase ID: 307881
• Molecular Formular: C12H19N
• Molecular Mass: 177.28596
• Monoisotopic Mass: 177.15174961
• SMILES: N(Cc1ccc(cc1)C)CCCC
• Canonical SMILES: CCCCNCc1ccc(cc1)C
• InChI: InChI=1S/C12H19N/c1-3-4-9-13-10-12-7-5-11(2)6-8-12/h5-8,13H,3-4,9-10H2,1-2H3
• InChIKey: HJAGHNRKHZQVEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: butyl[(4-methylphenyl)methyl]amine
• IUPAC Traditional name: P-methylbenzyl-butylamine
• Synonyms: N-(4-methylbenzyl)butan-1-amine

Database IDs

• CAS Number: 16183-21-4
• MDL Number: MFCD01924417

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.15157175
• LogD (pH = 7.4): 0.87757134
• Log P: 3.368915
• Molar Refractivity: 58.2208 cm^3
• Polarizability: 22.90238 Å^3
• Polar Surface Area: 12.03 Å^2