1-(benzyloxy)propan-2-amine

• ChemBase ID: 284002
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: O(Cc1ccccc1)CC(N)C
• Canonical SMILES: CC(COCc1ccccc1)N
• InChI: InChI=1S/C10H15NO/c1-9(11)7-12-8-10-5-3-2-4-6-10/h2-6,9H,7-8,11H2,1H3
• InChIKey: HYUZZQIAJWNRAQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09727949
• PubChem SID: 180669533
• PubChem CID: 296020

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5348884
• LogD (pH = 7.4): -0.7464793
• Log P: 1.4686137
• Molar Refractivity: 49.9937 cm^3
• Polarizability: 19.928621 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.515

Product Information

• Purity: 95%