(1-amino-2-methylpropan-2-yl)(1-phenylethyl)amine

• ChemBase ID: 270121
• Molecular Formular: C12H20N2
• Molecular Mass: 192.3006
• Monoisotopic Mass: 192.16264865
• SMILES: N(C(c1ccccc1)C)C(CN)(C)C
• Canonical SMILES: NCC(NC(c1ccccc1)C)(C)C
• InChI: InChI=1S/C12H20N2/c1-10(14-12(2,3)9-13)11-7-5-4-6-8-11/h4-8,10,14H,9,13H2,1-3H3
• InChIKey: KQXCVPMSXIJIDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-amino-2-methylpropan-2-yl)(1-phenylethyl)amine
• IUPAC Traditional name: (1-amino-2-methylpropan-2-yl)(1-phenylethyl)amine
• Synonyms: (1-amino-2-methylpropan-2-yl)(1-phenylethyl)amine

Database IDs

• MDL Number: MFCD17167212
• PubChem SID: 164326031
• PubChem CID: 50987530

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.951369
• LogD (pH = 7.4): -0.7168177
• Log P: 1.8483375
• Molar Refractivity: 60.7316 cm^3
• Polarizability: 24.497458 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.009

Product Information

• Purity: 95%