methyl[1-(4-methylphenyl)ethyl]amine

• ChemBase ID: 255618
• Molecular Formular: C10H15N
• Molecular Mass: 149.2328
• Monoisotopic Mass: 149.12044949
• SMILES: c1(ccc(cc1)C)C(NC)C
• Canonical SMILES: CNC(c1ccc(cc1)C)C
• InChI: InChI=1S/C10H15N/c1-8-4-6-10(7-5-8)9(2)11-3/h4-7,9,11H,1-3H3
• InChIKey: WUFPPWANSBKANN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[1-(4-methylphenyl)ethyl]amine
• IUPAC Traditional name: methyl[1-(4-methylphenyl)ethyl]amine
• Synonyms: methyl[1-(4-methylphenyl)ethyl]amine

Database IDs

• MDL Number: MFCD09049833
• PubChem SID: 164311528
• PubChem CID: 296016

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.7461725
• LogD (pH = 7.4): 0.094376005
• Log P: 2.461591
• Molar Refractivity: 48.766 cm^3
• Polarizability: 19.207993 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.318

Product Information

• Purity: 95%