[4-(ethoxymethyl)phenyl]methanamine

• ChemBase ID: 255497
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: c1(ccc(cc1)COCC)CN
• Canonical SMILES: CCOCc1ccc(cc1)CN
• InChI: InChI=1S/C10H15NO/c1-2-12-8-10-5-3-9(7-11)4-6-10/h3-6H,2,7-8,11H2,1H3
• InChIKey: RJZRSTLZBOUGKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(ethoxymethyl)phenyl]methanamine
• IUPAC Traditional name: [4-(ethoxymethyl)phenyl]methanamine
• Synonyms: 1-[4-(ethoxymethyl)phenyl]methanamine

Database IDs

• MDL Number: MFCD09730893
• PubChem SID: 164311407
• PubChem CID: 16784161

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6556878
• LogD (pH = 7.4): -0.71163684
• Log P: 1.331599
• Molar Refractivity: 50.8471 cm^3
• Polarizability: 19.923576 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.401

Product Information

• Purity: 95%