4-(ethoxymethyl)aniline

• ChemBase ID: 285076
• Molecular Formular: C9H13NO
• Molecular Mass: 151.20562
• Monoisotopic Mass: 151.09971404
• SMILES: c1(N)ccc(cc1)COCC
• Canonical SMILES: CCOCc1ccc(cc1)N
• InChI: InChI=1S/C9H13NO/c1-2-11-7-8-3-5-9(10)6-4-8/h3-6H,2,7,10H2,1H3
• InChIKey: SJVXBSOZYHQKSR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(ethoxymethyl)aniline
• IUPAC Traditional name: 4-(ethoxymethyl)aniline
• Synonyms: 4-(ethoxymethyl)aniline

Database IDs

• MDL Number: MFCD06804488
• PubChem SID: 180670607
• PubChem CID: 16782297

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3447173
• LogD (pH = 7.4): 1.3764839
• Log P: 1.3769046
• Molar Refractivity: 47.0741 cm^3
• Polarizability: 17.685337 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.102

Product Information

• Purity: 95%