2-methyl-2-[(pyridin-2-ylmethyl)amino]propan-1-ol

• ChemBase ID: 312221
• Molecular Formular: C10H16N2O
• Molecular Mass: 180.24684
• Monoisotopic Mass: 180.12626314
• SMILES: n1c(CNC(CO)(C)C)cccc1
• Canonical SMILES: OCC(NCc1ccccn1)(C)C
• InChI: InChI=1S/C10H16N2O/c1-10(2,8-13)12-7-9-5-3-4-6-11-9/h3-6,12-13H,7-8H2,1-2H3
• InChIKey: OTDMSDHYROHOSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-2-[(pyridin-2-ylmethyl)amino]propan-1-ol
• IUPAC Traditional name: 2-methyl-2-[(pyridin-2-ylmethyl)amino]propan-1-ol
• Synonyms: 2-methyl-2-[(pyridin-2-ylmethyl)amino]propan-1-ol

Database IDs

• CAS Number: 892591-92-3
• MDL Number: MFCD07411565

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.142886
• LogD (pH = 7.4): -0.41047084
• Log P: 0.4024438
• Molar Refractivity: 51.9762 cm^3
• Polarizability: 20.781199 Å^3
• Polar Surface Area: 45.15 Å^2