methyl[1-(2-methylphenyl)ethyl]amine

• ChemBase ID: 255622
• Molecular Formular: C10H15N
• Molecular Mass: 149.2328
• Monoisotopic Mass: 149.12044949
• SMILES: c1(c(C)cccc1)C(NC)C
• Canonical SMILES: CNC(c1ccccc1C)C
• InChI: InChI=1S/C10H15N/c1-8-6-4-5-7-10(8)9(2)11-3/h4-7,9,11H,1-3H3
• InChIKey: ZQVYRJXZAWZERP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[1-(2-methylphenyl)ethyl]amine
• IUPAC Traditional name: methyl[1-(2-methylphenyl)ethyl]amine
• Synonyms: methyl[1-(2-methylphenyl)ethyl]amine

Database IDs

• MDL Number: MFCD09043312
• PubChem SID: 164311532
• PubChem CID: 16771015

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.74556106
• LogD (pH = 7.4): 0.10128493
• Log P: 2.461591
• Molar Refractivity: 48.766 cm^3
• Polarizability: 19.20829 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.268

Product Information

• Purity: 95%