(2-{[(furan-2-ylmethyl)(methyl)amino]methyl}phenyl)methanamine

• ChemBase ID: 279042
• Molecular Formular: C14H18N2O
• Molecular Mass: 230.30552
• Monoisotopic Mass: 230.14191321
• SMILES: c1(occc1)CN(Cc1c(CN)cccc1)C
• Canonical SMILES: NCc1ccccc1CN(Cc1ccco1)C
• InChI: InChI=1S/C14H18N2O/c1-16(11-14-7-4-8-17-14)10-13-6-3-2-5-12(13)9-15/h2-8H,9-11,15H2,1H3
• InChIKey: LSELUBOXNJERCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-{[(furan-2-ylmethyl)(methyl)amino]methyl}phenyl)methanamine
• IUPAC Traditional name: (2-{[(furan-2-ylmethyl)(methyl)amino]methyl}phenyl)methanamine
• Synonyms: (2-{[(furan-2-ylmethyl)(methyl)amino]methyl}phenyl)methanamine

Database IDs

• MDL Number: MFCD12426533
• PubChem SID: 164334952
• PubChem CID: 43526638

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.5413787
• LogD (pH = 7.4): -0.800543
• Log P: 1.8251308
• Molar Refractivity: 70.0776 cm^3
• Polarizability: 27.217451 Å^3
• Polar Surface Area: 42.4 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.822

Product Information

• Purity: 95%