2-(6-fluoro-2,3-dihydroindol-1-yl)-N-(2-methoxyethyl)ethanamine

C13H19FN2O — CID 103497221

IUPAC2-(6-fluoro-2,3-dihydroindol-1-yl)-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCCN1CCc2ccc(F)cc21
InChIInChI=1S/C13H19FN2O/c1-17-9-6-15-5-8-16-7-4-11-2-3-12(14)10-13(11)16/h2-3,10,15H,4-9H2,1H3
InChIKeyPYWSSVOUHVTYCT-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.42
Rot. Bonds6

About 2-(6-fluoro-2,3-dihydroindol-1-yl)-N-(2-methoxyethyl)ethanamine

2-(6-fluoro-2,3-dihydroindol-1-yl)-N-(2-methoxyethyl)ethanamine (PubChem CID 103497221) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-(6-fluoro-2,3-dihydroindol-1-yl)-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound Name2-(6-fluoro-2,3-dihydroindol-1-yl)-N-(2-methoxyethyl)ethanamine
PubChem CID103497221
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name2-(6-fluoro-2,3-dihydroindol-1-yl)-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCCN1CCc2ccc(F)cc21
InChIInChI=1S/C13H19FN2O/c1-17-9-6-15-5-8-16-7-4-11-2-3-12(14)10-13(11)16/h2-3,10,15H,4-9H2,1H3
InChIKeyPYWSSVOUHVTYCT-UHFFFAOYSA-N
XLogP1.42
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-2,3-dihydroindol-1-yl)-N-(2-methoxyethyl)ethanamine?
The IUPAC name of 2-(6-fluoro-2,3-dihydroindol-1-yl)-N-(2-methoxyethyl)ethanamine (CID 103497221) is 2-(6-fluoro-2,3-dihydroindol-1-yl)-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for 2-(6-fluoro-2,3-dihydroindol-1-yl)-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for 2-(6-fluoro-2,3-dihydroindol-1-yl)-N-(2-methoxyethyl)ethanamine is COCCNCCN1CCc2ccc(F)cc21.
What is the InChIKey of 2-(6-fluoro-2,3-dihydroindol-1-yl)-N-(2-methoxyethyl)ethanamine?
The InChIKey is PYWSSVOUHVTYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-17-9-6-15-5-8-16-7-4-11-2-3-12(14)10-13(11)16/h2-3,10,15H,4-9H2,1H3.
What are the key properties of 2-(6-fluoro-2,3-dihydroindol-1-yl)-N-(2-methoxyethyl)ethanamine?
2-(6-fluoro-2,3-dihydroindol-1-yl)-N-(2-methoxyethyl)ethanamine has a molecular weight of 238.31 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-2,3-dihydroindol-1-yl)-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 103497221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).