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

C90H148N8O4 — CID 161238590

IUPAC2-(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
SMILESCCCCC(CC)COc1ccc2[nH]cc(CCN)c2c1.CCCCCCCCCCCCCCCCOc1ccc2[nH]cc(CCN)c2c1.CCCCCCCCCCCCCCOc1ccc2[nH]cc(CCN)c2c1.CCCCCCCCCCCCOc1ccc2[nH]cc(CCN)c2c1
InChIInChI=1S/C26H44N2O.C24H40N2O.C22H36N2O.C18H28N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-29-24-16-17-26-25(21-24)23(18-19-27)22-28-26;1-2-3-4-5-6-7-8-9-10-11-12-13-18-27-22-14-15-24-23(19-22)21(16-17-25)20-26-24;1-2-3-4-5-6-7-8-9-10-11-16-25-20-12-13-22-21(17-20)19(14-15-23)18-24-22;1-3-5-6-14(4-2)13-21-16-7-8-18-17(11-16)15(9-10-19)12-20-18/h16-17,21-22,28H,2-15,18-20,27H2,1H3;14-15,19-20,26H,2-13,16-18,25H2,1H3;12-13,17-18,24H,2-11,14-16,23H2,1H3;7-8,11-12,14,20H,3-6,9-10,13,19H2,1-2H3
InChIKeyUZRVISOCJROOKH-UHFFFAOYSA-N
MW1406.23 g/mol
LogP24.51
Rot. Bonds57

About 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

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 (PubChem CID 161238590) has the molecular formula C90H148N8O4 and a molecular weight of 1406.23 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID161238590
Molecular FormulaC90H148N8O4
Molecular Weight1406.23 g/mol
Exact Mass1405.16
IUPAC Name2-(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
SMILESCCCCC(CC)COc1ccc2[nH]cc(CCN)c2c1.CCCCCCCCCCCCCCCCOc1ccc2[nH]cc(CCN)c2c1.CCCCCCCCCCCCCCOc1ccc2[nH]cc(CCN)c2c1.CCCCCCCCCCCCOc1ccc2[nH]cc(CCN)c2c1
InChIInChI=1S/C26H44N2O.C24H40N2O.C22H36N2O.C18H28N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-29-24-16-17-26-25(21-24)23(18-19-27)22-28-26;1-2-3-4-5-6-7-8-9-10-11-12-13-18-27-22-14-15-24-23(19-22)21(16-17-25)20-26-24;1-2-3-4-5-6-7-8-9-10-11-16-25-20-12-13-22-21(17-20)19(14-15-23)18-24-22;1-3-5-6-14(4-2)13-21-16-7-8-18-17(11-16)15(9-10-19)12-20-18/h16-17,21-22,28H,2-15,18-20,27H2,1H3;14-15,19-20,26H,2-13,16-18,25H2,1H3;12-13,17-18,24H,2-11,14-16,23H2,1H3;7-8,11-12,14,20H,3-6,9-10,13,19H2,1-2H3
InChIKeyUZRVISOCJROOKH-UHFFFAOYSA-N
XLogP24.51
TPSA204.16 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds57
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001406.23
LogP ≤ 524.51
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-(6-ethoxyhexoxy)-1H-indol-3-yl]ethanamine
CID 15342178
2-[5-(3,7-dimethyloctoxy)-1H-indol-3-yl]ethanamine;hydrochloride
CID 134155855
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
2,6,9,10-tetrakis(2-ethylhexoxy)anthracene
CID 139930225
1,4-bis[(2S)-2-ethylhexoxy]benzene
CID 67003802
[2-(2-ethylhexoxy)-4-propoxyphenyl]methanamine
CID 63498813
4-(2-ethylhexoxy)-2-fluoro-1-methylbenzene
CID 107171247

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCC(CC)COc1ccc2[nH]cc(CCN)c2c1.CCCCCCCCCCCCCCCCOc1ccc2[nH]cc(CCN)c2c1.CCCCCCCCCCCCCCOc1ccc2[nH]cc(CCN)c2c1.CCCCCCCCCCCCOc1ccc2[nH]cc(CCN)c2c1.
What is the InChIKey of 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?
The InChIKey is UZRVISOCJROOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H44N2O.C24H40N2O.C22H36N2O.C18H28N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-29-24-16-17-26-25(21-24)23(18-19-27)22-28-26;1-2-3-4-5-6-7-8-9-10-11-12-13-18-27-22-14-15-24-23(19-22)21(16-17-25)20-26-24;1-2-3-4-5-6-7-8-9-10-11-16-25-20-12-13-22-21(17-20)19(14-15-23)18-24-22;1-3-5-6-14(4-2)13-21-16-7-8-18-17(11-16)15(9-10-19)12-20-18/h16-17,21-22,28H,2-15,18-20,27H2,1H3;14-15,19-20,26H,2-13,16-18,25H2,1H3;12-13,17-18,24H,2-11,14-16,23H2,1H3;7-8,11-12,14,20H,3-6,9-10,13,19H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1406.23 g/mol, XLogP of 24.51, 57 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161238590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).