2-(2,4-dichlorophenoxy)-N,N-dimethylaniline

• ChemBase ID: 81155
• Molecular Formular: C14H13Cl2NO
• Molecular Mass: 282.16512
• Monoisotopic Mass: 281.0374194
• SMILES: O(c1c(cccc1)N(C)C)c1ccc(cc1Cl)Cl
• Canonical SMILES: Clc1ccc(c(c1)Cl)Oc1ccccc1N(C)C
• InChI: InChI=1S/C14H13Cl2NO/c1-17(2)12-5-3-4-6-14(12)18-13-8-7-10(15)9-11(13)16/h3-9H,1-2H3
• InChIKey: YPOGOYXBAOCPFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,4-dichlorophenoxy)-N,N-dimethylaniline
• IUPAC Traditional name: 2-(2,4-dichlorophenoxy)-N,N-dimethylaniline
• Synonyms: 2-(2,4-dichlorophenoxy)-N,N-dimethylaniline

Database IDs

• MDL Number: MFCD01935199
• PubChem SID: 162068274
• PubChem CID: 2776999

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.789389
• LogD (pH = 7.4): 4.789663
• Log P: 4.789666
• Molar Refractivity: 76.337 cm^3
• Polarizability: 29.230644 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true