1-(2-methoxyethyl)-1H-indol-4-amine

• ChemBase ID: 120815
• Molecular Formular: C11H14N2O
• Molecular Mass: 190.24166
• Monoisotopic Mass: 190.11061308
• SMILES: c12ccn(c1cccc2N)CCOC
• Canonical SMILES: COCCn1ccc2c1cccc2N
• InChI: InChI=1S/C11H14N2O/c1-14-8-7-13-6-5-9-10(12)3-2-4-11(9)13/h2-6H,7-8,12H2,1H3
• InChIKey: QTWCDCABFPLRHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methoxyethyl)-1H-indol-4-amine
• IUPAC Traditional name: 1-(2-methoxyethyl)indol-4-amine
• Synonyms: 1-(2-methoxyethyl)-1H-indol-4-amine

Database IDs

• PubChem SID: 162215168
• PubChem CID: 56761379

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4160906
• LogD (pH = 7.4): 1.4197358
• Log P: 1.4197824
• Molar Refractivity: 57.7851 cm^3
• Polarizability: 22.834492 Å^3
• Polar Surface Area: 40.18 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true