methyl[2-(3-methylphenoxy)ethyl]amine

• ChemBase ID: 251378
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: c1c(OCCNC)cccc1C
• Canonical SMILES: CNCCOc1cccc(c1)C
• InChI: InChI=1S/C10H15NO/c1-9-4-3-5-10(8-9)12-7-6-11-2/h3-5,8,11H,6-7H2,1-2H3
• InChIKey: SRAUDTDSROSIAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[2-(3-methylphenoxy)ethyl]amine
• IUPAC Traditional name: methyl[2-(3-methylphenoxy)ethyl]amine
• Synonyms: N-methyl-N-[2-(3-methylphenoxy)ethyl]amine

Database IDs

• MDL Number: MFCD00085971
• PubChem SID: 164307288
• PubChem CID: 7131762

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2104166
• LogD (pH = 7.4): -0.12654454
• Log P: 1.9645926
• Molar Refractivity: 50.2868 cm^3
• Polarizability: 19.837875 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.066

Product Information

• Purity: 95%