[(2-methoxyphenyl)methyl](pentan-3-yl)amine

• ChemBase ID: 311042
• Molecular Formular: C13H21NO
• Molecular Mass: 207.31194
• Monoisotopic Mass: 207.1623143
• SMILES: c1(CNC(CC)CC)c(OC)cccc1
• Canonical SMILES: CCC(NCc1ccccc1OC)CC
• InChI: InChI=1S/C13H21NO/c1-4-12(5-2)14-10-11-8-6-7-9-13(11)15-3/h6-9,12,14H,4-5,10H2,1-3H3
• InChIKey: MNHYMJKHEOBWAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-methoxyphenyl)methyl](pentan-3-yl)amine
• IUPAC Traditional name: [(2-methoxyphenyl)methyl](pentan-3-yl)amine
• Synonyms: (1-ethylpropyl)(2-methoxybenzyl)amine

Database IDs

• CAS Number: 355382-11-5
• MDL Number: MFCD01135442

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.01435503
• LogD (pH = 7.4): 1.0815653
• Log P: 3.192351
• Molar Refractivity: 63.9846 cm^3
• Polarizability: 25.452288 Å^3
• Polar Surface Area: 21.26 Å^2