2-(5-octoxy-1H-indol-3-yl)ethanamine

C18H28N2O — CID 10613373

IUPAC2-(5-octoxy-1H-indol-3-yl)ethanamine
SMILESCCCCCCCCOc1ccc2[nH]cc(CCN)c2c1
InChIInChI=1S/C18H28N2O/c1-2-3-4-5-6-7-12-21-16-8-9-18-17(13-16)15(10-11-19)14-20-18/h8-9,13-14,20H,2-7,10-12,19H2,1H3
InChIKeyLTTOQYQUAVKRPY-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.41
Rot. Bonds10

About 2-(5-octoxy-1H-indol-3-yl)ethanamine

2-(5-octoxy-1H-indol-3-yl)ethanamine (PubChem CID 10613373) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-(5-octoxy-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(5-octoxy-1H-indol-3-yl)ethanamine
PubChem CID10613373
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-(5-octoxy-1H-indol-3-yl)ethanamine
SMILESCCCCCCCCOc1ccc2[nH]cc(CCN)c2c1
InChIInChI=1S/C18H28N2O/c1-2-3-4-5-6-7-12-21-16-8-9-18-17(13-16)15(10-11-19)14-20-18/h8-9,13-14,20H,2-7,10-12,19H2,1H3
InChIKeyLTTOQYQUAVKRPY-UHFFFAOYSA-N
XLogP4.41
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.41
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

2-(5-pentoxy-1H-indol-3-yl)ethanamine
CID 10848041
5-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]pentan-1-amine
CID 15341730
2-[5-(6-ethoxyhexoxy)-1H-indol-3-yl]ethanamine
CID 15342178
2-(5-dodecoxy-1H-indol-3-yl)ethanamine;2-[5-(2-ethylhexoxy)-1H-indol-3-yl]ethanamine;2-(5-hexadecoxy-1H-indol-3-yl)ethanamine;2-(5-tetradecoxy-1H-indol-3-yl)ethanamine
CID 161238590
2-[5-(2-fluoroethoxy)-1H-indol-3-yl]ethanamine
CID 71510843
N-[6-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]hexyl]methanesulfonamide;hydrochloride
CID 22097965
[3-(2-aminoethyl)-1H-indol-5-yl] hexanoate;hydrochloride
CID 67642487
2-[5-(3,7-dimethyloctoxy)-1H-indol-3-yl]ethanamine;hydrochloride
CID 134155855
2-[4-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]butyl]isoindole-1,3-dione;hydrochloride
CID 19029941
2-[5-(4-ethoxyphenyl)-1H-indol-3-yl]ethanamine
CID 75465017
15-(5-octoxy-1H-indol-3-yl)-N-[2-(5-octoxy-1H-indol-3-yl)ethyl]-12-oxopentadecanamide
CID 160629194
2-[5-[(4-iodophenyl)methoxy]-1H-indol-3-yl]ethanamine
CID 154204464

Frequently Asked Questions

What is the IUPAC name of 2-(5-octoxy-1H-indol-3-yl)ethanamine?
The IUPAC name of 2-(5-octoxy-1H-indol-3-yl)ethanamine (CID 10613373) is 2-(5-octoxy-1H-indol-3-yl)ethanamine.
What is the SMILES notation for 2-(5-octoxy-1H-indol-3-yl)ethanamine?
The canonical SMILES for 2-(5-octoxy-1H-indol-3-yl)ethanamine is CCCCCCCCOc1ccc2[nH]cc(CCN)c2c1.
What is the InChIKey of 2-(5-octoxy-1H-indol-3-yl)ethanamine?
The InChIKey is LTTOQYQUAVKRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-2-3-4-5-6-7-12-21-16-8-9-18-17(13-16)15(10-11-19)14-20-18/h8-9,13-14,20H,2-7,10-12,19H2,1H3.
What are the key properties of 2-(5-octoxy-1H-indol-3-yl)ethanamine?
2-(5-octoxy-1H-indol-3-yl)ethanamine has a molecular weight of 288.44 g/mol, XLogP of 4.41, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-octoxy-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 10613373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).