butyl[(2-methoxyphenyl)methyl]amine

• ChemBase ID: 307720
• Molecular Formular: C12H19NO
• Molecular Mass: 193.28536
• Monoisotopic Mass: 193.14666423
• SMILES: c1(c(OC)cccc1)CNCCCC
• Canonical SMILES: CCCCNCc1ccccc1OC
• InChI: InChI=1S/C12H19NO/c1-3-4-9-13-10-11-7-5-6-8-12(11)14-2/h5-8,13H,3-4,9-10H2,1-2H3
• InChIKey: QNRGPPFYKDTUIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: butyl[(2-methoxyphenyl)methyl]amine
• IUPAC Traditional name: butyl[(2-methoxyphenyl)methyl]amine
• Synonyms: N-(2-methoxybenzyl)butan-1-amine

Database IDs

• CAS Number: 893611-23-9
• MDL Number: MFCD07409972

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.44398433
• LogD (pH = 7.4): 0.7857861
• Log P: 2.6978223
• Molar Refractivity: 59.6428 cm^3
• Polarizability: 23.605797 Å^3
• Polar Surface Area: 21.26 Å^2