2-(5,6-dihydro-1H-indol-3-yl)-N-(2-methoxyethyl)ethanamine

C13H20N2O — CID 142862512

IUPAC2-(5,6-dihydro-1H-indol-3-yl)-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCCc1c[nH]c2c1=CCCC=2
InChIInChI=1S/C13H20N2O/c1-16-9-8-14-7-6-11-10-15-13-5-3-2-4-12(11)13/h4-5,10,14-15H,2-3,6-9H2,1H3
InChIKeyYFSXRUVICUTWFI-UHFFFAOYSA-N
MW220.32 g/mol
LogP0.15
Rot. Bonds6

About 2-(5,6-dihydro-1H-indol-3-yl)-N-(2-methoxyethyl)ethanamine

2-(5,6-dihydro-1H-indol-3-yl)-N-(2-methoxyethyl)ethanamine (PubChem CID 142862512) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-(5,6-dihydro-1H-indol-3-yl)-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound Name2-(5,6-dihydro-1H-indol-3-yl)-N-(2-methoxyethyl)ethanamine
PubChem CID142862512
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-(5,6-dihydro-1H-indol-3-yl)-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCCc1c[nH]c2c1=CCCC=2
InChIInChI=1S/C13H20N2O/c1-16-9-8-14-7-6-11-10-15-13-5-3-2-4-12(11)13/h4-5,10,14-15H,2-3,6-9H2,1H3
InChIKeyYFSXRUVICUTWFI-UHFFFAOYSA-N
XLogP0.15
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(5,6-dihydro-1H-indol-3-yl)-N-(2-methoxyethyl)ethanamine?
The IUPAC name of 2-(5,6-dihydro-1H-indol-3-yl)-N-(2-methoxyethyl)ethanamine (CID 142862512) is 2-(5,6-dihydro-1H-indol-3-yl)-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for 2-(5,6-dihydro-1H-indol-3-yl)-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for 2-(5,6-dihydro-1H-indol-3-yl)-N-(2-methoxyethyl)ethanamine is COCCNCCc1c[nH]c2c1=CCCC=2.
What is the InChIKey of 2-(5,6-dihydro-1H-indol-3-yl)-N-(2-methoxyethyl)ethanamine?
The InChIKey is YFSXRUVICUTWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-16-9-8-14-7-6-11-10-15-13-5-3-2-4-12(11)13/h4-5,10,14-15H,2-3,6-9H2,1H3.
What are the key properties of 2-(5,6-dihydro-1H-indol-3-yl)-N-(2-methoxyethyl)ethanamine?
2-(5,6-dihydro-1H-indol-3-yl)-N-(2-methoxyethyl)ethanamine has a molecular weight of 220.32 g/mol, XLogP of 0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dihydro-1H-indol-3-yl)-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 142862512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).