2-(2-methyl-1-phenyl-1H-indol-3-yl)ethan-1-amine

• ChemBase ID: 310363
• Molecular Formular: C17H18N2
• Molecular Mass: 250.33822
• Monoisotopic Mass: 250.14699859
• SMILES: n1(c(c(c2c1cccc2)CCN)C)c1ccccc1
• Canonical SMILES: NCCc1c(C)n(c2c1cccc2)c1ccccc1
• InChI: InChI=1S/C17H18N2/c1-13-15(11-12-18)16-9-5-6-10-17(16)19(13)14-7-3-2-4-8-14/h2-10H,11-12,18H2,1H3
• InChIKey: PQXYDILHRHTDJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methyl-1-phenyl-1H-indol-3-yl)ethan-1-amine
• IUPAC Traditional name: 2-(2-methyl-1-phenylindol-3-yl)ethanamine
• Synonyms: 2-(2-METHYL-1-PHENYL-1H-INDOL-3-YL)-ETHYLAMINE; 2-(2-methyl-1-phenyl-1H-indol-3-yl)ethanamine

Database IDs

• CAS Number: 28856-30-6
• MDL Number: MFCD00512754

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.56100106
• LogD (pH = 7.4): 1.3106453
• Log P: 3.5676334
• Molar Refractivity: 90.5162 cm^3
• Polarizability: 32.917274 Å^3
• Polar Surface Area: 30.95 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%