[(1-aminobutan-2-yl)oxy]benzene

• ChemBase ID: 273664
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: O(c1ccccc1)C(CN)CC
• Canonical SMILES: CCC(Oc1ccccc1)CN
• InChI: InChI=1S/C10H15NO/c1-2-9(8-11)12-10-6-4-3-5-7-10/h3-7,9H,2,8,11H2,1H3
• InChIKey: SYJYUOUNEDFGGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1-aminobutan-2-yl)oxy]benzene
• IUPAC Traditional name: [(1-aminobutan-2-yl)oxy]benzene
• Synonyms: [(1-aminobutan-2-yl)oxy]benzene

Database IDs

• MDL Number: MFCD16081586
• PubChem SID: 164329574
• PubChem CID: 20251916

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0093173
• LogD (pH = 7.4): 0.0677861
• Log P: 1.9576882
• Molar Refractivity: 49.4138 cm^3
• Polarizability: 19.917501 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.1

Product Information

• Purity: 95%