[3-(methoxymethyl)phenyl]methanamine

• ChemBase ID: 258431
• Molecular Formular: C9H13NO
• Molecular Mass: 151.20562
• Monoisotopic Mass: 151.09971404
• SMILES: c1c(CN)cccc1COC
• Canonical SMILES: COCc1cccc(c1)CN
• InChI: InChI=1S/C9H13NO/c1-11-7-9-4-2-3-8(5-9)6-10/h2-5H,6-7,10H2,1H3
• InChIKey: SASCLRJDYCGASV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(methoxymethyl)phenyl]methanamine
• IUPAC Traditional name: [3-(methoxymethyl)phenyl]methanamine
• Synonyms: 1-[3-(methoxymethyl)phenyl]methanamine

Database IDs

• MDL Number: MFCD09734052
• PubChem SID: 164314341
• PubChem CID: 16787292

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0100508
• LogD (pH = 7.4): -1.0471851
• Log P: 0.974791
• Molar Refractivity: 46.0985 cm^3
• Polarizability: 18.077414 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.872

Product Information

• Purity: 95%