[2-(7-methyl-1H-indol-3-yl)ethyl][1-(morpholin-4-yl)propan-2-yl]amine

• ChemBase ID: 681666
• Molecular Formular: C18H27N3O
• Molecular Mass: 301.42648
• Monoisotopic Mass: 301.2154125
• SMILES: [nH]1c2c(c(c1)CCNC(CN1CCOCC1)C)cccc2C
• Canonical SMILES: CC(CN1CCOCC1)NCCc1c[nH]c2c1cccc2C
• InChI: InChI=1S/C18H27N3O/c1-14-4-3-5-17-16(12-20-18(14)17)6-7-19-15(2)13-21-8-10-22-11-9-21/h3-5,12,15,19-20H,6-11,13H2,1-2H3
• InChIKey: TYQOZJMLLXHWEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(7-methyl-1H-indol-3-yl)ethyl][1-(morpholin-4-yl)propan-2-yl]amine
• IUPAC Traditional name: [2-(7-methyl-1H-indol-3-yl)ethyl][1-(morpholin-4-yl)propan-2-yl]amine
• Synonyms: N-[2-(7-methyl-1H-indol-3-yl)ethyl]-1-morpholin-4-ylpropan-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 17.488476
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.6647511
• LogD (pH = 7.4): 0.09757971
• Log P: 2.6491582
• Molar Refractivity: 91.7011 cm^3
• Polarizability: 36.86558 Å^3
• Polar Surface Area: 40.29 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.09
• LOG S: -2.17
• Polar Surface Area: 40.29 Å^2
• Rotatable Bonds: 6