tert-butyl N-[2-amino-2-(naphthalen-2-yl)ethyl]carbamate

• ChemBase ID: 244555
• Molecular Formular: C17H22N2O2
• Molecular Mass: 286.36878
• Monoisotopic Mass: 286.16812795
• SMILES: C(=O)(NCC(c1cc2c(cc1)cccc2)N)OC(C)(C)C
• Canonical SMILES: O=C(OC(C)(C)C)NCC(c1ccc2c(c1)cccc2)N
• InChI: InChI=1S/C17H22N2O2/c1-17(2,3)21-16(20)19-11-15(18)14-9-8-12-6-4-5-7-13(12)10-14/h4-10,15H,11,18H2,1-3H3,(H,19,20)
• InChIKey: GPXKIJMETNRECD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-[2-amino-2-(naphthalen-2-yl)ethyl]carbamate
• IUPAC Traditional name: tert-butyl N-[2-amino-2-(naphthalen-2-yl)ethyl]carbamate
• Synonyms: tert-butyl N-[2-amino-2-(naphthalen-2-yl)ethyl]carbamate

Database IDs

• MDL Number: MFCD18657743
• PubChem SID: 164300465
• PubChem CID: 66523421

CALCULATED PROPERTIES

• Acid pKa: 15.165116
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.04804035
• LogD (pH = 7.4): 1.5583482
• Log P: 2.8433716
• Molar Refractivity: 83.4746 cm^3
• Polarizability: 34.181522 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.249

Product Information

• Purity: 95%