dimethyl(2-phenoxyethyl)amine

• ChemBase ID: 287193
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: CN(C)CCOc1ccccc1
• Canonical SMILES: CN(CCOc1ccccc1)C
• InChI: InChI=1S/C10H15NO/c1-11(2)8-9-12-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
• InChIKey: RUHVDRGWCIAFLG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl(2-phenoxyethyl)amine
• IUPAC Traditional name: dimethyl(2-phenoxyethyl)amine
• Synonyms: N,N-Dimethyl-2-phenoxyethanamine

Database IDs

• CAS Number: 13468-02-5
• MDL Number: MFCD00040016
• PubChem SID: 180672724
• PubChem CID: 26050

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.2378861
• LogD (pH = 7.4): 0.44558355
• Log P: 1.8342191
• Molar Refractivity: 50.5403 cm^3
• Polarizability: 19.91768 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%