[2-(dimethylamino)ethyl](3-phenylpropyl)amine

• ChemBase ID: 264786
• Molecular Formular: C13H22N2
• Molecular Mass: 206.32718
• Monoisotopic Mass: 206.17829871
• SMILES: N(CCNCCCc1ccccc1)(C)C
• Canonical SMILES: CN(CCNCCCc1ccccc1)C
• InChI: InChI=1S/C13H22N2/c1-15(2)12-11-14-10-6-9-13-7-4-3-5-8-13/h3-5,7-8,14H,6,9-12H2,1-2H3
• InChIKey: LXWZLAHEJWPRSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(dimethylamino)ethyl](3-phenylpropyl)amine
• IUPAC Traditional name: [2-(dimethylamino)ethyl](3-phenylpropyl)amine
• Synonyms: [2-(dimethylamino)ethyl](3-phenylpropyl)amine

Database IDs

• MDL Number: MFCD11154684
• PubChem SID: 164320696
• PubChem CID: 20271941

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0324605
• LogD (pH = 7.4): -0.22324914
• Log P: 2.283469
• Molar Refractivity: 66.6811 cm^3
• Polarizability: 26.26717 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.457

Product Information

• Purity: 95%