2-[3-(dimethylamino)phenoxy]-5-methylaniline

• ChemBase ID: 19833
• Molecular Formular: C15H18N2O
• Molecular Mass: 242.31622
• Monoisotopic Mass: 242.14191321
• SMILES: c1(c(cc(cc1)C)N)Oc1cc(N(C)C)ccc1
• Canonical SMILES: Cc1ccc(c(c1)N)Oc1cccc(c1)N(C)C
• InChI: InChI=1S/C15H18N2O/c1-11-7-8-15(14(16)9-11)18-13-6-4-5-12(10-13)17(2)3/h4-10H,16H2,1-3H3
• InChIKey: UQKDETZBRPEFEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[3-(dimethylamino)phenoxy]-5-methylaniline
• IUPAC Traditional name: 2-[3-(dimethylamino)phenoxy]-5-methylaniline
• Synonyms: N-[3-(2-Amino-4-methylphenoxy)phenyl]-N,N-dimethylamine; 2-[3-(dimethylamino)phenoxy]-5-methylaniline

Database IDs

• MDL Number: MFCD08686824
• PubChem SID: 160983140
• PubChem CID: 26189485

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.2559512
• LogD (pH = 7.4): 3.265944
• Log P: 3.2660723
• Molar Refractivity: 76.469 cm^3
• Polarizability: 28.40291 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 64 - 66°C
• Hydrophobicity(logP): 3.857

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%