N-ethyl-3,5-dimethylaniline

• ChemBase ID: 28922
• Molecular Formular: C10H15N
• Molecular Mass: 149.2328
• Monoisotopic Mass: 149.12044949
• SMILES: c1(cc(cc(c1)C)C)NCC
• Canonical SMILES: CCNc1cc(C)cc(c1)C
• InChI: InChI=1S/C10H15N/c1-4-11-10-6-8(2)5-9(3)7-10/h5-7,11H,4H2,1-3H3
• InChIKey: PNBMTHXANKLTAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-3,5-dimethylaniline
• IUPAC Traditional name: N-ethyl-3,5-dimethylaniline
• Synonyms: N-Ethyl-3,5-dimethylaniline

Database IDs

• MDL Number: MFCD03210689
• PubChem SID: 160992229
• PubChem CID: 13413648

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.6744018
• LogD (pH = 7.4): 2.8273284
• Log P: 2.8296747
• Molar Refractivity: 51.0828 cm^3
• Polarizability: 18.722004 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.168

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%