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

• ChemBase ID: 293452
• Molecular Formular: C10H15N
• Molecular Mass: 149.2328
• Monoisotopic Mass: 149.12044949
• SMILES: Cc1ccc(CCNC)cc1
• Canonical SMILES: CNCCc1ccc(cc1)C
• InChI: InChI=1S/C10H15N/c1-9-3-5-10(6-4-9)7-8-11-2/h3-6,11H,7-8H2,1-2H3
• InChIKey: ZTXWGLLWOCJFOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[2-(4-methylphenyl)ethyl]amine
• IUPAC Traditional name: methyl[2-(4-methylphenyl)ethyl]amine
• Synonyms: N-Methyl-2-(p-tolyl)ethanamine; N-methyl-2-p-tolylethanamine

Database IDs

• CAS Number: 229621-74-3
• MDL Number: MFCD06738712
• PubChem SID: 180678983
• PubChem CID: 22898654

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.89158833
• LogD (pH = 7.4): -0.2935475
• Log P: 2.3336773
• Molar Refractivity: 49.1022 cm^3
• Polarizability: 19.12904 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 96%