(1-methyl-1H-pyrrol-2-yl)(phenyl)methanamine

• ChemBase ID: 308203
• Molecular Formular: C12H14N2
• Molecular Mass: 186.25296
• Monoisotopic Mass: 186.11569846
• SMILES: c1(n(ccc1)C)C(c1ccccc1)N
• Canonical SMILES: Cn1cccc1C(c1ccccc1)N
• InChI: InChI=1S/C12H14N2/c1-14-9-5-8-11(14)12(13)10-6-3-2-4-7-10/h2-9,12H,13H2,1H3
• InChIKey: ZUADXHJXKLHXFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-methyl-1H-pyrrol-2-yl)(phenyl)methanamine
• IUPAC Traditional name: (1-methylpyrrol-2-yl)(phenyl)methanamine
• Synonyms: 1-(1-methyl-1H-pyrrol-2-yl)-1-phenylmethanamine

Database IDs

• MDL Number: MFCD09261600

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.6546906
• LogD (pH = 7.4): 0.89273965
• Log P: 2.1068158
• Molar Refractivity: 58.3472 cm^3
• Polarizability: 22.801064 Å^3
• Polar Surface Area: 30.95 Å^2