(2-aminoethyl)(benzyl)methylamine

• ChemBase ID: 262906
• Molecular Formular: C10H16N2
• Molecular Mass: 164.24744
• Monoisotopic Mass: 164.13134852
• SMILES: N(Cc1ccccc1)(CCN)C
• Canonical SMILES: NCCN(Cc1ccccc1)C
• InChI: InChI=1S/C10H16N2/c1-12(8-7-11)9-10-5-3-2-4-6-10/h2-6H,7-9,11H2,1H3
• InChIKey: LIUGRXFEJOSPIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-aminoethyl)(benzyl)methylamine
• IUPAC Traditional name: (2-aminoethyl)(benzyl)methylamine
• Synonyms: (2-aminoethyl)(benzyl)methylamine

Database IDs

• MDL Number: MFCD03030356
• PubChem SID: 164318816
• PubChem CID: 3014812

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.1347425
• LogD (pH = 7.4): -1.0114073
• Log P: 1.1176587
• Molar Refractivity: 52.5505 cm^3
• Polarizability: 20.803812 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.533

Product Information

• Purity: 95%