benzyl[2-(methylamino)ethyl]amine

• ChemBase ID: 261413
• Molecular Formular: C10H16N2
• Molecular Mass: 164.24744
• Monoisotopic Mass: 164.13134852
• SMILES: N(Cc1ccccc1)CCNC
• Canonical SMILES: CNCCNCc1ccccc1
• InChI: InChI=1S/C10H16N2/c1-11-7-8-12-9-10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3
• InChIKey: HUQLOABSMDKQBW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl[2-(methylamino)ethyl]amine
• IUPAC Traditional name: benzyl[2-(methylamino)ethyl]amine
• Synonyms: benzyl[2-(methylamino)ethyl]amine

Database IDs

• MDL Number: MFCD09037852
• PubChem SID: 164317323
• PubChem CID: 10920861

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.0646858
• LogD (pH = 7.4): -1.089907
• Log P: 1.1671913
• Molar Refractivity: 52.0304 cm^3
• Polarizability: 20.803844 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.296

Product Information

• Purity: 95%