2-{[(2-methylphenyl)methyl]amino}ethan-1-ol

• ChemBase ID: 312566
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: c1(c(C)cccc1)CNCCO
• Canonical SMILES: OCCNCc1ccccc1C
• InChI: InChI=1S/C10H15NO/c1-9-4-2-3-5-10(9)8-11-6-7-12/h2-5,11-12H,6-8H2,1H3
• InChIKey: RMILXCMZOMROKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[(2-methylphenyl)methyl]amino}ethan-1-ol
• IUPAC Traditional name: 2-{[(2-methylphenyl)methyl]amino}ethanol
• Synonyms: 2-[(2-methylbenzyl)amino]ethanol

Database IDs

• CAS Number: 91251-55-7
• MDL Number: MFCD07410280

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.7658242
• LogD (pH = 7.4): -0.4683981
• Log P: 1.3549141
• Molar Refractivity: 50.6395 cm^3
• Polarizability: 19.77561 Å^3
• Polar Surface Area: 32.26 Å^2