(3-methoxy-2-propoxyphenyl)methanamine

• ChemBase ID: 308050
• Molecular Formular: C11H17NO2
• Molecular Mass: 195.25818
• Monoisotopic Mass: 195.12592879
• SMILES: c1(c(CN)cccc1OC)OCCC
• Canonical SMILES: CCCOc1c(CN)cccc1OC
• InChI: InChI=1S/C11H17NO2/c1-3-7-14-11-9(8-12)5-4-6-10(11)13-2/h4-6H,3,7-8,12H2,1-2H3
• InChIKey: VXSLHHFERMFXCM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-methoxy-2-propoxyphenyl)methanamine
• IUPAC Traditional name: (3-methoxy-2-propoxyphenyl)methanamine
• Synonyms: (3-methoxy-2-propoxybenzyl)amine

Database IDs

• CAS Number: 80364-69-8
• MDL Number: MFCD07754794

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.2153169
• LogD (pH = 7.4): 0.16120985
• Log P: 1.663002
• Molar Refractivity: 56.7304 cm^3
• Polarizability: 22.412504 Å^3
• Polar Surface Area: 44.48 Å^2