furan-2-yl(2-methoxyphenyl)methanamine

• ChemBase ID: 240709
• Molecular Formular: C12H13NO2
• Molecular Mass: 203.23712
• Monoisotopic Mass: 203.09462866
• SMILES: c1(C(c2occc2)N)c(OC)cccc1
• Canonical SMILES: COc1ccccc1C(c1ccco1)N
• InChI: InChI=1S/C12H13NO2/c1-14-10-6-3-2-5-9(10)12(13)11-7-4-8-15-11/h2-8,12H,13H2,1H3
• InChIKey: CGACMEIJSCCYLJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: furan-2-yl(2-methoxyphenyl)methanamine
• IUPAC Traditional name: furan-2-yl(2-methoxyphenyl)methanamine
• Synonyms: furan-2-yl(2-methoxyphenyl)methanamine

Database IDs

• MDL Number: MFCD16086849
• PubChem SID: 164296619
• PubChem CID: 61712433

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.12257931
• LogD (pH = 7.4): 1.5840012
• Log P: 1.7858298
• Molar Refractivity: 57.6683 cm^3
• Polarizability: 22.662683 Å^3
• Polar Surface Area: 48.39 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.537

Product Information

• Purity: 95%