2-(5-methoxy-1H-indol-1-yl)ethan-1-amine

• ChemBase ID: 124985
• Molecular Formular: C11H14N2O
• Molecular Mass: 190.24166
• Monoisotopic Mass: 190.11061308
• SMILES: n1(c2c(cc1)cc(cc2)OC)CCN
• Canonical SMILES: NCCn1ccc2c1ccc(c2)OC
• InChI: InChI=1S/C11H14N2O/c1-14-10-2-3-11-9(8-10)4-6-13(11)7-5-12/h2-4,6,8H,5,7,12H2,1H3
• InChIKey: KTHZVNMUARCVQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-methoxy-1H-indol-1-yl)ethan-1-amine
• IUPAC Traditional name: 2-(5-methoxyindol-1-yl)ethanamine
• Synonyms: 2-(5-methoxy-1H-indol-1-yl)ethanamine

Database IDs

• PubChem SID: 162219338
• PubChem CID: 39732337

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6626037
• LogD (pH = 7.4): -0.875736
• Log P: 1.3410288
• Molar Refractivity: 56.4542 cm^3
• Polarizability: 23.222906 Å^3
• Polar Surface Area: 40.18 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true