3-(benzyloxy)-2-methylpropan-1-amine

• ChemBase ID: 265148
• Molecular Formular: C11H17NO
• Molecular Mass: 179.25878
• Monoisotopic Mass: 179.13101417
• SMILES: O(CC(CN)C)Cc1ccccc1
• Canonical SMILES: NCC(COCc1ccccc1)C
• InChI: InChI=1S/C11H17NO/c1-10(7-12)8-13-9-11-5-3-2-4-6-11/h2-6,10H,7-9,12H2,1H3
• InChIKey: MDENEXDTXSSCRK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(benzyloxy)-2-methylpropan-1-amine
• IUPAC Traditional name: 3-(benzyloxy)-2-methylpropan-1-amine
• Synonyms: 3-(benzyloxy)-2-methylpropan-1-amine

Database IDs

• MDL Number: MFCD11653689
• PubChem SID: 164321058
• PubChem CID: 43367947

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4316753
• LogD (pH = 7.4): -0.98399556
• Log P: 1.5913221
• Molar Refractivity: 54.8567 cm^3
• Polarizability: 21.774939 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.958

Product Information

• Purity: 95%