[(1-ethyl-1H-indol-4-yl)methyl](oxolan-2-ylmethyl)(pyridin-2-ylmethyl)amine

• ChemBase ID: 419732
• Molecular Formular: C22H27N3O
• Molecular Mass: 349.46928
• Monoisotopic Mass: 349.2154125
• SMILES: c12ccn(c1cccc2CN(Cc1ncccc1)CC1OCCC1)CC
• Canonical SMILES: CCn1ccc2c1cccc2CN(Cc1ccccn1)CC1CCCO1
• InChI: InChI=1S/C22H27N3O/c1-2-25-13-11-21-18(7-5-10-22(21)25)15-24(17-20-9-6-14-26-20)16-19-8-3-4-12-23-19/h3-5,7-8,10-13,20H,2,6,9,14-17H2,1H3
• InChIKey: FATJBTJXIBCIOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1-ethyl-1H-indol-4-yl)methyl](oxolan-2-ylmethyl)(pyridin-2-ylmethyl)amine
• IUPAC Traditional name: [(1-ethylindol-4-yl)methyl](oxolan-2-ylmethyl)(pyridin-2-ylmethyl)amine
• Synonyms: 1-(1-ethyl-1H-indol-4-yl)-N-(pyridin-2-ylmethyl)-N-(tetrahydrofuran-2-ylmethyl)methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6211417
• LogD (pH = 7.4): 3.2531917
• Log P: 3.6007502
• Molar Refractivity: 105.5207 cm^3
• Polarizability: 42.27193 Å^3
• Polar Surface Area: 30.29 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.32
• LOG S: -2.27
• Polar Surface Area: 30.29 Å^2
• Rotatable Bonds: 7