2-[(adamantan-2-yl)amino]ethan-1-ol

• ChemBase ID: 307709
• Molecular Formular: C12H21NO
• Molecular Mass: 195.30124
• Monoisotopic Mass: 195.1623143
• SMILES: C12C(C3CC(C1)CC(C2)C3)NCCO
• Canonical SMILES: OCCNC1C2CC3CC1CC(C2)C3
• InChI: InChI=1S/C12H21NO/c14-2-1-13-12-10-4-8-3-9(6-10)7-11(12)5-8/h8-14H,1-7H2
• InChIKey: QWEHXCRULFHITF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(adamantan-2-yl)amino]ethan-1-ol
• IUPAC Traditional name: 2-(adamantan-2-ylamino)ethanol
• Synonyms: 2-(2-adamantylamino)ethanol

Database IDs

• CAS Number: 24161-70-4
• MDL Number: MFCD08142276

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.9409423
• LogD (pH = 7.4): -1.5472187
• Log P: 1.2928221
• Molar Refractivity: 56.4359 cm^3
• Polarizability: 22.79212 Å^3
• Polar Surface Area: 32.26 Å^2