4-[1-(cyclopropylamino)ethyl]phenol

• ChemBase ID: 259712
• Molecular Formular: C11H15NO
• Molecular Mass: 177.2429
• Monoisotopic Mass: 177.11536411
• SMILES: N(C1CC1)C(c1ccc(cc1)O)C
• Canonical SMILES: CC(c1ccc(cc1)O)NC1CC1
• InChI: InChI=1S/C11H15NO/c1-8(12-10-4-5-10)9-2-6-11(13)7-3-9/h2-3,6-8,10,12-13H,4-5H2,1H3
• InChIKey: OWSOOZXCTUEZHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[1-(cyclopropylamino)ethyl]phenol
• IUPAC Traditional name: 4-[1-(cyclopropylamino)ethyl]phenol
• Synonyms: 4-[1-(cyclopropylamino)ethyl]phenol

Database IDs

• MDL Number: MFCD09047625
• PubChem SID: 164315622
• PubChem CID: 16775198

CALCULATED PROPERTIES

• Acid pKa: 9.139005
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.049367
• LogD (pH = 7.4): 0.1067003
• Log P: 1.4253664
• Molar Refractivity: 52.9169 cm^3
• Polarizability: 20.94621 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.506

Product Information

• Purity: 95%