ethyl[(4-methoxyphenyl)methyl]amine

• ChemBase ID: 168657
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: c1c(ccc(c1)CNCC)OC
• Canonical SMILES: CCNCc1ccc(cc1)OC
• InChI: InChI=1S/C10H15NO/c1-3-11-8-9-4-6-10(12-2)7-5-9/h4-7,11H,3,8H2,1-2H3
• InChIKey: SYGACMXWLAQEPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl[(4-methoxyphenyl)methyl]amine
• IUPAC Traditional name: ethyl[(4-methoxyphenyl)methyl]amine
• Synonyms: N-Ethyl-p-methoxy-benzylamine; NSC 165789; N-Ethyl-4-methoxybenzenemethanamine

Database IDs

• CAS Number: 22993-76-6
• PubChem SID: 162262789
• PubChem CID: 296018

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.463748
• LogD (pH = 7.4): -0.50517666
• Log P: 1.7307314
• Molar Refractivity: 50.5178 cm^3
• Polarizability: 19.912855 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Ether; Methanol
• Apperance: Light Brown Oil