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

• ChemBase ID: 118446
• Molecular Formular: C10H15N
• Molecular Mass: 149.2328
• Monoisotopic Mass: 149.12044949
• SMILES: c1c(cccc1CCNC)C
• Canonical SMILES: CNCCc1cccc(c1)C
• InChI: InChI=1S/C10H15N/c1-9-4-3-5-10(8-9)6-7-11-2/h3-5,8,11H,6-7H2,1-2H3
• InChIKey: CCKKJKNZCZIBJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 137069-23-9
• MDL Number: MFCD06738720
• PubChem SID: 162098063
• PubChem CID: 22902380

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.8917132
• LogD (pH = 7.4): -0.2960486
• Log P: 2.3336773
• Molar Refractivity: 49.1022 cm^3
• Polarizability: 19.129362 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 2.11

Product Information

• Purity: 95+%