ethyl[(3-methylphenyl)methyl]amine

• ChemBase ID: 255524
• Molecular Formular: C10H15N
• Molecular Mass: 149.2328
• Monoisotopic Mass: 149.12044949
• SMILES: c1c(CNCC)cccc1C
• Canonical SMILES: CCNCc1cccc(c1)C
• InChI: InChI=1S/C10H15N/c1-3-11-8-10-6-4-5-9(2)7-10/h4-7,11H,3,8H2,1-2H3
• InChIKey: AHSNAOOBNGLDJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD00048518
• PubChem SID: 164311434
• PubChem CID: 20113158

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.80463666
• LogD (pH = 7.4): 0.049211882
• Log P: 2.401824
• Molar Refractivity: 49.0958 cm^3
• Polarizability: 19.208498 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.538

Product Information

• Purity: 95%