methyl[(5-methyl-2-phenylfuran-3-yl)methyl]amine

• ChemBase ID: 92218
• Molecular Formular: C13H15NO
• Molecular Mass: 201.2643
• Monoisotopic Mass: 201.11536411
• SMILES: o1c(c(CNC)cc1C)c1ccccc1
• Canonical SMILES: CNCc1cc(oc1c1ccccc1)C
• InChI: InChI=1S/C13H15NO/c1-10-8-12(9-14-2)13(15-10)11-6-4-3-5-7-11/h3-8,14H,9H2,1-2H3
• InChIKey: UOPUGXOLGTYISK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(5-methyl-2-phenylfuran-3-yl)methyl]amine
• IUPAC Traditional name: methyl[(5-methyl-2-phenylfuran-3-yl)methyl]amine
• Synonyms: N-methyl-N-[(5-methyl-2-phenyl-3-furyl)methyl]amine; N-Methyl-1-(5-methyl-2-phenyl-3-furyl)methylamine 95%

Database IDs

• CAS Number: 869901-18-8
• MDL Number: MFCD08690282
• PubChem SID: 162078916
• PubChem CID: 18525837

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.7253435
• LogD (pH = 7.4): 0.4141277
• Log P: 2.438628
• Molar Refractivity: 61.9828 cm^3
• Polarizability: 25.196766 Å^3
• Polar Surface Area: 25.17 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 90%