2-(5-ethoxy-1H-indol-3-yl)-N-ethylethanamine

C14H20N2O — CID 98783922

IUPAC2-(5-ethoxy-1H-indol-3-yl)-N-ethylethanamine
SMILESCCNCCc1c[nH]c2ccc(OCC)cc12
InChIInChI=1S/C14H20N2O/c1-3-15-8-7-11-10-16-14-6-5-12(17-4-2)9-13(11)14/h5-6,9-10,15-16H,3-4,7-8H2,1-2H3
InChIKeyVFHNPMJJJPVAGC-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.72
Rot. Bonds6

About 2-(5-ethoxy-1H-indol-3-yl)-N-ethylethanamine

2-(5-ethoxy-1H-indol-3-yl)-N-ethylethanamine (PubChem CID 98783922) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-(5-ethoxy-1H-indol-3-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(5-ethoxy-1H-indol-3-yl)-N-ethylethanamine
PubChem CID98783922
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-(5-ethoxy-1H-indol-3-yl)-N-ethylethanamine
SMILESCCNCCc1c[nH]c2ccc(OCC)cc12
InChIInChI=1S/C14H20N2O/c1-3-15-8-7-11-10-16-14-6-5-12(17-4-2)9-13(11)14/h5-6,9-10,15-16H,3-4,7-8H2,1-2H3
InChIKeyVFHNPMJJJPVAGC-UHFFFAOYSA-N
XLogP2.72
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.72
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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Related Compounds

5-ethoxy-3-propyl-1H-indole;formic acid
CID 142107070
2-(5-tert-butyl-1H-indol-3-yl)-N-ethylethanamine
CID 96674958
5-ethoxy-3-methyl-1H-indole
CID 82490542
tris(5-ethoxy-3-propyl-1H-indole);N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]propanamide;3-propyl-1H-indole;3-propyl-1H-indol-5-ol
CID 161141076
2-(5-methoxy-1H-indol-3-yl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 21071638
2-[5-(4-ethoxyphenyl)-1H-indol-3-yl]ethanamine
CID 75465017
3-(5-chloro-1H-indol-3-yl)-N-ethylpropan-1-amine
CID 96674281
2-[5-(6-ethoxyhexoxy)-1H-indol-3-yl]ethanamine
CID 15342178
3-(2-ethoxyethyl)-5-methoxy-1H-indole
CID 167475271
2-(5-octoxy-1H-indol-3-yl)ethanamine
CID 10613373
2-(5-pentoxy-1H-indol-3-yl)ethanamine
CID 10848041
(2S)-2-amino-3-(5-ethoxy-1H-indol-3-yl)propanoic acid
CID 131887373

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethoxy-1H-indol-3-yl)-N-ethylethanamine?
The IUPAC name of 2-(5-ethoxy-1H-indol-3-yl)-N-ethylethanamine (CID 98783922) is 2-(5-ethoxy-1H-indol-3-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(5-ethoxy-1H-indol-3-yl)-N-ethylethanamine?
The canonical SMILES for 2-(5-ethoxy-1H-indol-3-yl)-N-ethylethanamine is CCNCCc1c[nH]c2ccc(OCC)cc12.
What is the InChIKey of 2-(5-ethoxy-1H-indol-3-yl)-N-ethylethanamine?
The InChIKey is VFHNPMJJJPVAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-3-15-8-7-11-10-16-14-6-5-12(17-4-2)9-13(11)14/h5-6,9-10,15-16H,3-4,7-8H2,1-2H3.
What are the key properties of 2-(5-ethoxy-1H-indol-3-yl)-N-ethylethanamine?
2-(5-ethoxy-1H-indol-3-yl)-N-ethylethanamine has a molecular weight of 232.33 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethoxy-1H-indol-3-yl)-N-ethylethanamine is sourced from PubChem (CID 98783922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).