[(4-ethylphenyl)methyl](methyl)amine

• ChemBase ID: 101726
• Molecular Formular: C10H15N
• Molecular Mass: 149.2328
• Monoisotopic Mass: 149.12044949
• SMILES: N(Cc1ccc(cc1)CC)C
• Canonical SMILES: CNCc1ccc(cc1)CC
• InChI: InChI=1S/C10H15N/c1-3-9-4-6-10(7-5-9)8-11-2/h4-7,11H,3,8H2,1-2H3
• InChIKey: JCSDSVXBTRWEJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-ethylphenyl)methyl](methyl)amine
• IUPAC Traditional name: [(4-ethylphenyl)methyl](methyl)amine
• Synonyms: N-(4-ethylbenzyl)-N-methylamine; (4-ethylbenzyl)methylamine

Database IDs

• CAS Number: 568577-84-4
• MDL Number: MFCD04115409
• PubChem SID: 162087608
• PubChem CID: 2060575

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.7103442
• LogD (pH = 7.4): 0.204087
• Log P: 2.4895847
• Molar Refractivity: 48.9482 cm^3
• Polarizability: 19.207567 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%