[(2R)-1-aminopropan-2-yl](benzyl)amine

• ChemBase ID: 801335
• Molecular Formular: C10H16N2
• Molecular Mass: 164.24744
• Monoisotopic Mass: 164.13134852
• SMILES: N(Cc1ccccc1)[C@@H](CN)C
• Canonical SMILES: NC[C@H](NCc1ccccc1)C
• InChI: InChI=1S/C10H16N2/c1-9(7-11)12-8-10-5-3-2-4-6-10/h2-6,9,12H,7-8,11H2,1H3/t9-/m1/s1
• InChIKey: LHNRUKBQFAJHLL-SECBINFHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2R)-1-aminopropan-2-yl](benzyl)amine
• IUPAC Traditional name: [(2R)-1-aminopropan-2-yl](benzyl)amine
• Synonyms: N-[(1R)-2-AMINO-1-METHYLETHYL]-N-BENZYLAMINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.497788
• LogD (pH = 7.4): -1.2630174
• Log P: 1.1511859
• Molar Refractivity: 51.6746 cm^3
• Polarizability: 20.803844 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%