N-phenyladamantan-1-amine

• ChemBase ID: 795784
• Molecular Formular: C16H21N
• Molecular Mass: 227.34464
• Monoisotopic Mass: 227.16739968
• SMILES: C1C2CC3CC1(CC(C2)C3)Nc1ccccc1
• Canonical SMILES: C1C2CC3CC1CC(C2)(C3)Nc1ccccc1
• InChI: InChI=1S/C16H21N/c1-2-4-15(5-3-1)17-16-9-12-6-13(10-16)8-14(7-12)11-16/h1-5,12-14,17H,6-11H2
• InChIKey: NKOYQKQNTMZHRD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-phenyladamantan-1-amine
• IUPAC Traditional name: N-phenyladamantan-1-amine
• Synonyms: N-PhenyladaMantan-1-aMine

Database IDs

• CAS Number: 33187-62-1

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.4056718
• LogD (pH = 7.4): 3.535495
• Log P: 3.5374303
• Molar Refractivity: 71.8686 cm^3
• Polarizability: 27.738167 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%