2-[5-(6-ethoxyhexoxy)-1H-indol-3-yl]ethanamine

C18H28N2O2 — CID 15342178

IUPAC2-[5-(6-ethoxyhexoxy)-1H-indol-3-yl]ethanamine
SMILESCCOCCCCCCOc1ccc2[nH]cc(CCN)c2c1
InChIInChI=1S/C18H28N2O2/c1-2-21-11-5-3-4-6-12-22-16-7-8-18-17(13-16)15(9-10-19)14-20-18/h7-8,13-14,20H,2-6,9-12,19H2,1H3
InChIKeyUPOYVVKPCSBWHB-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.64
Rot. Bonds11

About 2-[5-(6-ethoxyhexoxy)-1H-indol-3-yl]ethanamine

2-[5-(6-ethoxyhexoxy)-1H-indol-3-yl]ethanamine (PubChem CID 15342178) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 2-[5-(6-ethoxyhexoxy)-1H-indol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(6-ethoxyhexoxy)-1H-indol-3-yl]ethanamine
PubChem CID15342178
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name2-[5-(6-ethoxyhexoxy)-1H-indol-3-yl]ethanamine
SMILESCCOCCCCCCOc1ccc2[nH]cc(CCN)c2c1
InChIInChI=1S/C18H28N2O2/c1-2-21-11-5-3-4-6-12-22-16-7-8-18-17(13-16)15(9-10-19)14-20-18/h7-8,13-14,20H,2-6,9-12,19H2,1H3
InChIKeyUPOYVVKPCSBWHB-UHFFFAOYSA-N
XLogP3.64
TPSA60.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(5-octoxy-1H-indol-3-yl)ethanamine
CID 10613373
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-(2-fluoroethoxy)-1H-indol-3-yl]ethanamine
CID 71510843
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
N-[6-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]hexyl]methanesulfonamide;hydrochloride
CID 22097965
3-(2-ethoxyethyl)-5-methoxy-1H-indole
CID 167475271
2-[5-(4-ethoxyphenyl)-1H-indol-3-yl]ethanamine
CID 75465017
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-iodophenyl)methoxy]-1H-indol-3-yl]ethanamine
CID 154204464
bis[3-(2-aminoethyl)-1H-indol-5-yl] hexanedioate
CID 57477029

Frequently Asked Questions

What is the IUPAC name of 2-[5-(6-ethoxyhexoxy)-1H-indol-3-yl]ethanamine?
The IUPAC name of 2-[5-(6-ethoxyhexoxy)-1H-indol-3-yl]ethanamine (CID 15342178) is 2-[5-(6-ethoxyhexoxy)-1H-indol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-(6-ethoxyhexoxy)-1H-indol-3-yl]ethanamine?
The canonical SMILES for 2-[5-(6-ethoxyhexoxy)-1H-indol-3-yl]ethanamine is CCOCCCCCCOc1ccc2[nH]cc(CCN)c2c1.
What is the InChIKey of 2-[5-(6-ethoxyhexoxy)-1H-indol-3-yl]ethanamine?
The InChIKey is UPOYVVKPCSBWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-2-21-11-5-3-4-6-12-22-16-7-8-18-17(13-16)15(9-10-19)14-20-18/h7-8,13-14,20H,2-6,9-12,19H2,1H3.
What are the key properties of 2-[5-(6-ethoxyhexoxy)-1H-indol-3-yl]ethanamine?
2-[5-(6-ethoxyhexoxy)-1H-indol-3-yl]ethanamine has a molecular weight of 304.43 g/mol, XLogP of 3.64, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(6-ethoxyhexoxy)-1H-indol-3-yl]ethanamine is sourced from PubChem (CID 15342178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).