methyl({[5-(2-methylcyclopropyl)furan-2-yl]methyl})amine

• ChemBase ID: 251814
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: C1(c2oc(cc2)CNC)CC1C
• Canonical SMILES: CNCc1ccc(o1)C1CC1C
• InChI: InChI=1S/C10H15NO/c1-7-5-9(7)10-4-3-8(12-10)6-11-2/h3-4,7,9,11H,5-6H2,1-2H3
• InChIKey: MYVUMGMKLHZXHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({[5-(2-methylcyclopropyl)furan-2-yl]methyl})amine
• IUPAC Traditional name: methyl({[5-(2-methylcyclopropyl)furan-2-yl]methyl})amine
• Synonyms: N-methyl-N-{[5-(2-methylcyclopropyl)-2-furyl]methyl}amine

Database IDs

• MDL Number: MFCD07692331
• PubChem SID: 164307724
• PubChem CID: 16227024

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.242354
• LogD (pH = 7.4): 0.45421535
• Log P: 1.5021911
• Molar Refractivity: 48.5886 cm^3
• Polarizability: 18.957346 Å^3
• Polar Surface Area: 25.17 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.148

Product Information

• Purity: 95%