[2-(prop-2-en-1-yloxy)phenyl]methanamine

• ChemBase ID: 273194
• Molecular Formular: C10H13NO
• Molecular Mass: 163.21632
• Monoisotopic Mass: 163.09971404
• SMILES: c1(c(OCC=C)cccc1)CN
• Canonical SMILES: C=CCOc1ccccc1CN
• InChI: InChI=1S/C10H13NO/c1-2-7-12-10-6-4-3-5-9(10)8-11/h2-6H,1,7-8,11H2
• InChIKey: UUXQXOZZWXRSTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(prop-2-en-1-yloxy)phenyl]methanamine
• IUPAC Traditional name: [2-(prop-2-en-1-yloxy)phenyl]methanamine
• Synonyms: [2-(prop-2-en-1-yloxy)phenyl]methanamine

Database IDs

• MDL Number: MFCD12048752
• PubChem SID: 164329104
• PubChem CID: 14940440

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2222319
• LogD (pH = 7.4): 0.1165088
• Log P: 1.6725928
• Molar Refractivity: 50.1573 cm^3
• Polarizability: 19.678453 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.787

Product Information

• Purity: 95%