methyl[2-(4-methylphenoxy)ethyl]amine

• ChemBase ID: 15354
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: c1(ccc(cc1)C)OCCNC
• Canonical SMILES: CNCCOc1ccc(cc1)C
• InChI: InChI=1S/C10H15NO/c1-9-3-5-10(6-4-9)12-8-7-11-2/h3-6,11H,7-8H2,1-2H3
• InChIKey: OPRIBHSVYMOUOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[2-(4-methylphenoxy)ethyl]amine
• IUPAC Traditional name: methyl[2-(4-methylphenoxy)ethyl]amine
• Synonyms: N-Methyl-2-(4-methylphenoxy)-1-ethanamine; N-methyl-2-(4-methylphenoxy)ethanamine; N-methyl-N-[2-(4-methylphenoxy)ethyl]amine

Database IDs

• CAS Number: 625437-29-8
• MDL Number: MFCD06248189
• PubChem SID: 160978661
• PubChem CID: 6483879

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2118193
• LogD (pH = 7.4): -0.13567604
• Log P: 1.9645926
• Molar Refractivity: 50.2868 cm^3
• Polarizability: 19.837193 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 253 - 255°C
• Hydrophobicity(logP): 2.066

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%