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

• ChemBase ID: 262871
• Molecular Formular: C11H18ClNO
• Molecular Mass: 215.71972
• Monoisotopic Mass: 215.10769188
• SMILES: O(CC(CN)C)Cc1ccccc1.Cl
• Canonical SMILES: NCC(COCc1ccccc1)C.Cl
• InChI: InChI=1S/C11H17NO.ClH/c1-10(7-12)8-13-9-11-5-3-2-4-6-11;/h2-6,10H,7-9,12H2,1H3;1H
• InChIKey: BMDHTOYUAFZPHG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13195901
• PubChem SID: 164318781
• PubChem CID: 45792179

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%