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

C15H22N2O — CID 10848041

IUPAC2-(5-pentoxy-1H-indol-3-yl)ethanamine
SMILESCCCCCOc1ccc2[nH]cc(CCN)c2c1
InChIInChI=1S/C15H22N2O/c1-2-3-4-9-18-13-5-6-15-14(10-13)12(7-8-16)11-17-15/h5-6,10-11,17H,2-4,7-9,16H2,1H3
InChIKeyNCBRBANXBGKQFO-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.24
Rot. Bonds7

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

2-(5-pentoxy-1H-indol-3-yl)ethanamine (PubChem CID 10848041) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(5-pentoxy-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(5-pentoxy-1H-indol-3-yl)ethanamine
PubChem CID10848041
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-(5-pentoxy-1H-indol-3-yl)ethanamine
SMILESCCCCCOc1ccc2[nH]cc(CCN)c2c1
InChIInChI=1S/C15H22N2O/c1-2-3-4-9-18-13-5-6-15-14(10-13)12(7-8-16)11-17-15/h5-6,10-11,17H,2-4,7-9,16H2,1H3
InChIKeyNCBRBANXBGKQFO-UHFFFAOYSA-N
XLogP3.24
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.24
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-octoxy-1H-indol-3-yl)ethanamine
CID 10613373
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-pentoxy-1H-indol-3-yl)ethanamine?
The IUPAC name of 2-(5-pentoxy-1H-indol-3-yl)ethanamine (CID 10848041) is 2-(5-pentoxy-1H-indol-3-yl)ethanamine.
What is the SMILES notation for 2-(5-pentoxy-1H-indol-3-yl)ethanamine?
The canonical SMILES for 2-(5-pentoxy-1H-indol-3-yl)ethanamine is CCCCCOc1ccc2[nH]cc(CCN)c2c1.
What is the InChIKey of 2-(5-pentoxy-1H-indol-3-yl)ethanamine?
The InChIKey is NCBRBANXBGKQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-3-4-9-18-13-5-6-15-14(10-13)12(7-8-16)11-17-15/h5-6,10-11,17H,2-4,7-9,16H2,1H3.
What are the key properties of 2-(5-pentoxy-1H-indol-3-yl)ethanamine?
2-(5-pentoxy-1H-indol-3-yl)ethanamine has a molecular weight of 246.35 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-pentoxy-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 10848041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).