1-[2-(morpholin-4-yl)ethyl]-1H-indol-5-amine

• ChemBase ID: 266347
• Molecular Formular: C14H19N3O
• Molecular Mass: 245.32016
• Monoisotopic Mass: 245.15281224
• SMILES: n1(c2c(cc1)cc(cc2)N)CCN1CCOCC1
• Canonical SMILES: Nc1ccc2c(c1)ccn2CCN1CCOCC1
• InChI: InChI=1S/C14H19N3O/c15-13-1-2-14-12(11-13)3-4-17(14)6-5-16-7-9-18-10-8-16/h1-4,11H,5-10,15H2
• InChIKey: DYDIXKXTRPCMCF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(morpholin-4-yl)ethyl]-1H-indol-5-amine
• IUPAC Traditional name: 1-[2-(morpholin-4-yl)ethyl]indol-5-amine
• Synonyms: 1-[2-(morpholin-4-yl)ethyl]-1H-indol-5-amine

Database IDs

• MDL Number: MFCD11213931
• PubChem SID: 164322257
• PubChem CID: 43165355

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.6378019
• LogD (pH = 7.4): 0.96280646
• Log P: 1.266902
• Molar Refractivity: 73.8352 cm^3
• Polarizability: 29.152224 Å^3
• Polar Surface Area: 43.42 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 102 - 104°C
• Hydrophobicity(logP): 1.562

Product Information

• Purity: 95%