[2-(5-methoxy-1H-1,3-benzodiazol-2-yl)ethyl](methyl)amine

• ChemBase ID: 306950
• Molecular Formular: C11H15N3O
• Molecular Mass: 205.2563
• Monoisotopic Mass: 205.12151212
• SMILES: n1c([nH]c2c1cc(cc2)OC)CCNC
• Canonical SMILES: CNCCc1nc2c([nH]1)ccc(c2)OC
• InChI: InChI=1S/C11H15N3O/c1-12-6-5-11-13-9-4-3-8(15-2)7-10(9)14-11/h3-4,7,12H,5-6H2,1-2H3,(H,13,14)
• InChIKey: DMNYXWBUIOGBTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(5-methoxy-1H-1,3-benzodiazol-2-yl)ethyl](methyl)amine
• IUPAC Traditional name: [2-(5-methoxy-1H-1,3-benzodiazol-2-yl)ethyl](methyl)amine
• Synonyms: 2-(5-methoxy-1H-benzimidazol-2-yl)-N-methylethanamine

Database IDs

• CAS Number: 1177309-65-7
• MDL Number: MFCD18073146

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.8255417
• LogD (pH = 7.4): -1.3123595
• Log P: 0.97036076
• Molar Refractivity: 58.7061 cm^3
• Polarizability: 24.148212 Å^3
• Polar Surface Area: 49.94 Å^2