butyl[(3-methoxyphenyl)methyl]amine

• ChemBase ID: 312357
• Molecular Formular: C12H19NO
• Molecular Mass: 193.28536
• Monoisotopic Mass: 193.14666423
• SMILES: c1c(OC)cccc1CNCCCC
• Canonical SMILES: CCCCNCc1cccc(c1)OC
• InChI: InChI=1S/C12H19NO/c1-3-4-8-13-10-11-6-5-7-12(9-11)14-2/h5-7,9,13H,3-4,8,10H2,1-2H3
• InChIKey: YWAIQZVYGOQBMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: butyl[(3-methoxyphenyl)methyl]amine
• IUPAC Traditional name: butyl[(3-methoxyphenyl)methyl]amine
• Synonyms: N-(3-methoxybenzyl)-1-butanamine

Database IDs

• CAS Number: 60509-46-8
• MDL Number: MFCD07405674

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.5052512
• LogD (pH = 7.4): 0.38118988
• Log P: 2.6978223
• Molar Refractivity: 59.6428 cm^3
• Polarizability: 23.60558 Å^3
• Polar Surface Area: 21.26 Å^2