3-[2-(dimethylamino)ethoxy]-4-methoxyaniline

• ChemBase ID: 256513
• Molecular Formular: C11H18N2O2
• Molecular Mass: 210.27282
• Monoisotopic Mass: 210.13682783
• SMILES: c1(cc(N)ccc1OC)OCCN(C)C
• Canonical SMILES: COc1ccc(cc1OCCN(C)C)N
• InChI: InChI=1S/C11H18N2O2/c1-13(2)6-7-15-11-8-9(12)4-5-10(11)14-3/h4-5,8H,6-7,12H2,1-3H3
• InChIKey: WFMRAKZOFYATRY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[2-(dimethylamino)ethoxy]-4-methoxyaniline
• IUPAC Traditional name: 3-[2-(dimethylamino)ethoxy]-4-methoxyaniline
• Synonyms: N-[2-(5-amino-2-methoxyphenoxy)ethyl]-N,N-dimethylamine

Database IDs

• MDL Number: MFCD09736971
• PubChem SID: 164312423
• PubChem CID: 10560398

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.2502115
• LogD (pH = 7.4): -0.49085292
• Log P: 0.84762186
• Molar Refractivity: 61.7039 cm^3
• Polarizability: 23.55408 Å^3
• Polar Surface Area: 47.72 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 70 - 72°C
• Hydrophobicity(logP): 0.69

Product Information

• Purity: 95%