(2-amino-3-phenylpropyl)dimethylamine

• ChemBase ID: 261555
• Molecular Formular: C11H18N2
• Molecular Mass: 178.27402
• Monoisotopic Mass: 178.14699859
• SMILES: N(CC(Cc1ccccc1)N)(C)C
• Canonical SMILES: NC(Cc1ccccc1)CN(C)C
• InChI: InChI=1S/C11H18N2/c1-13(2)9-11(12)8-10-6-4-3-5-7-10/h3-7,11H,8-9,12H2,1-2H3
• InChIKey: HKHSRJNAQHRMGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-amino-3-phenylpropyl)dimethylamine
• IUPAC Traditional name: (2-amino-3-phenylpropyl)dimethylamine
• Synonyms: (2-amino-3-phenylpropyl)dimethylamine

Database IDs

• MDL Number: MFCD08361614
• PubChem SID: 164317465
• PubChem CID: 11769112

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.0561
• LogD (pH = 7.4): -0.7271372
• Log P: 1.4660871
• Molar Refractivity: 56.9757 cm^3
• Polarizability: 22.572039 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 45 - 47°C
• Hydrophobicity(logP): 1.554

Product Information

• Purity: 95%