3,5-dichloro-4-[2-(dimethylamino)ethoxy]aniline

• ChemBase ID: 247338
• Molecular Formular: C10H14Cl2N2O
• Molecular Mass: 249.13696
• Monoisotopic Mass: 248.04831844
• SMILES: c1(c(cc(cc1Cl)N)Cl)OCCN(C)C
• Canonical SMILES: CN(CCOc1c(Cl)cc(cc1Cl)N)C
• InChI: InChI=1S/C10H14Cl2N2O/c1-14(2)3-4-15-10-8(11)5-7(13)6-9(10)12/h5-6H,3-4,13H2,1-2H3
• InChIKey: FEYOREIYECNQMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dichloro-4-[2-(dimethylamino)ethoxy]aniline
• IUPAC Traditional name: 3,5-dichloro-4-[2-(dimethylamino)ethoxy]aniline
• Synonyms: 3,5-dichloro-4-[2-(dimethylamino)ethoxy]aniline

Database IDs

• MDL Number: MFCD11647711
• PubChem SID: 164303248
• PubChem CID: 20345417

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.8268979
• LogD (pH = 7.4): 0.8802272
• Log P: 2.2133825
• Molar Refractivity: 64.8503 cm^3
• Polarizability: 24.847124 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.354

Product Information

• Purity: 95%