(benzyloxy)(methyl)amine

• ChemBase ID: 241855
• Molecular Formular: C8H11NO
• Molecular Mass: 137.17904
• Monoisotopic Mass: 137.08406398
• SMILES: N(OCc1ccccc1)C
• Canonical SMILES: CNOCc1ccccc1
• InChI: InChI=1S/C8H11NO/c1-9-10-7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
• InChIKey: IANNBWVHGOIPRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (benzyloxy)(methyl)amine
• IUPAC Traditional name: (benzyloxy)(methyl)amine
• Synonyms: (benzyloxy)(methyl)amine

Database IDs

• MDL Number: MFCD21116670
• PubChem SID: 164297765
• PubChem CID: 13417387

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4438317
• LogD (pH = 7.4): 1.5835073
• Log P: 1.5856135
• Molar Refractivity: 51.2711 cm^3
• Polarizability: 16.236168 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.471

Product Information

• Purity: 95%