(1-amino-3-phenylpropan-2-yl)dimethylamine

• ChemBase ID: 237580
• Molecular Formular: C11H18N2
• Molecular Mass: 178.27402
• Monoisotopic Mass: 178.14699859
• SMILES: C(N(C)C)(Cc1ccccc1)CN
• Canonical SMILES: NCC(N(C)C)Cc1ccccc1
• InChI: InChI=1S/C11H18N2/c1-13(2)11(9-12)8-10-6-4-3-5-7-10/h3-7,11H,8-9,12H2,1-2H3
• InChIKey: UNKNAPRNXOMOJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-amino-3-phenylpropan-2-yl)dimethylamine
• IUPAC Traditional name: (1-amino-3-phenylpropan-2-yl)dimethylamine
• Synonyms: N-(2-amino-1-benzylethyl)-N,N-dimethylamine

Database IDs

• MDL Number: MFCD06655088
• PubChem SID: 164293490
• PubChem CID: 3415764

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.0033848
• LogD (pH = 7.4): -0.69627607
• Log P: 1.4660871
• Molar Refractivity: 56.9757 cm^3
• Polarizability: 22.572014 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.554

Product Information

• Purity: 95%