2-[[3-[2-[ethyl(propan-2-yl)amino]ethyl]-1H-indol-6-yl]oxy]-6-methyloxane-3,4,5-triol

C21H32N2O5 — CID 169222460

IUPAC2-[[3-[2-[ethyl(propan-2-yl)amino]ethyl]-1H-indol-6-yl]oxy]-6-methyloxane-3,4,5-triol
SMILESCCN(CCc1c[nH]c2cc(OC3OC(C)C(O)C(O)C3O)ccc12)C(C)C
InChIInChI=1S/C21H32N2O5/c1-5-23(12(2)3)9-8-14-11-22-17-10-15(6-7-16(14)17)28-21-20(26)19(25)18(24)13(4)27-21/h6-7,10-13,18-22,24-26H,5,8-9H2,1-4H3
InChIKeyOSGBVBXSXZOGMH-UHFFFAOYSA-N
MW392.50 g/mol
LogP1.65
Rot. Bonds7

About 2-[[3-[2-[ethyl(propan-2-yl)amino]ethyl]-1H-indol-6-yl]oxy]-6-methyloxane-3,4,5-triol

2-[[3-[2-[ethyl(propan-2-yl)amino]ethyl]-1H-indol-6-yl]oxy]-6-methyloxane-3,4,5-triol (PubChem CID 169222460) has the molecular formula C21H32N2O5 and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-[[3-[2-[ethyl(propan-2-yl)amino]ethyl]-1H-indol-6-yl]oxy]-6-methyloxane-3,4,5-triol.

Molecular Properties

Compound Name2-[[3-[2-[ethyl(propan-2-yl)amino]ethyl]-1H-indol-6-yl]oxy]-6-methyloxane-3,4,5-triol
PubChem CID169222460
Molecular FormulaC21H32N2O5
Molecular Weight392.50 g/mol
Exact Mass392.23
IUPAC Name2-[[3-[2-[ethyl(propan-2-yl)amino]ethyl]-1H-indol-6-yl]oxy]-6-methyloxane-3,4,5-triol
SMILESCCN(CCc1c[nH]c2cc(OC3OC(C)C(O)C(O)C3O)ccc12)C(C)C
InChIInChI=1S/C21H32N2O5/c1-5-23(12(2)3)9-8-14-11-22-17-10-15(6-7-16(14)17)28-21-20(26)19(25)18(24)13(4)27-21/h6-7,10-13,18-22,24-26H,5,8-9H2,1-4H3
InChIKeyOSGBVBXSXZOGMH-UHFFFAOYSA-N
XLogP1.65
TPSA98.18 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 51.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[[3-[2-[ethyl(propan-2-yl)amino]ethyl]-1H-indol-6-yl]oxy]-6-methyloxane-3,4,5-triol with MolForge

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Related Compounds

2-[[3-[2-[ethyl(propyl)amino]ethyl]-1H-indol-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 169222368
2-[[3-[2-(dipropylamino)ethyl]-1H-indol-5-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 169222544
2-[[3-[2-[cyclopropyl(methyl)amino]ethyl]-1H-indol-5-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 169222271
N-ethyl-N-[2-(1H-indol-3-yl)ethyl]butan-2-amine
CID 168947075
(3R,6S)-3,4,5-trihydroxy-6-[[3-(2-hydroxyethyl)-1H-indol-5-yl]oxy]oxane-2-carboxylic acid
CID 139024245
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[3-(2-hydroxyethyl)-1H-indol-5-yl]oxy]oxane-2-carboxylic acid
CID 134819974
(2S,4S,5R)-2-(4-aminophenoxy)-6-methyloxane-3,4,5-triol
CID 90397338
(3R,4S,5R,6R)-2-(4-aminophenoxy)-6-methyloxane-3,4,5-triol
CID 22887138
(2S,3R,4R,5R,6S)-2-methyl-6-phenoxyoxane-3,4,5-triol
CID 23260821
(2R,3S,4S,5R,6S)-2-methyl-6-[4-[2-(methylamino)ethyl]phenoxy]oxane-3,4,5-triol
CID 163037828
6-methoxy-3-(3-methylpentyl)-1H-indole
CID 156642145
[3-[2-[ethyl(propyl)amino]ethyl]-1H-indol-6-yl] butanoate
CID 169222076

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[2-[ethyl(propan-2-yl)amino]ethyl]-1H-indol-6-yl]oxy]-6-methyloxane-3,4,5-triol?
The IUPAC name of 2-[[3-[2-[ethyl(propan-2-yl)amino]ethyl]-1H-indol-6-yl]oxy]-6-methyloxane-3,4,5-triol (CID 169222460) is 2-[[3-[2-[ethyl(propan-2-yl)amino]ethyl]-1H-indol-6-yl]oxy]-6-methyloxane-3,4,5-triol.
What is the SMILES notation for 2-[[3-[2-[ethyl(propan-2-yl)amino]ethyl]-1H-indol-6-yl]oxy]-6-methyloxane-3,4,5-triol?
The canonical SMILES for 2-[[3-[2-[ethyl(propan-2-yl)amino]ethyl]-1H-indol-6-yl]oxy]-6-methyloxane-3,4,5-triol is CCN(CCc1c[nH]c2cc(OC3OC(C)C(O)C(O)C3O)ccc12)C(C)C.
What is the InChIKey of 2-[[3-[2-[ethyl(propan-2-yl)amino]ethyl]-1H-indol-6-yl]oxy]-6-methyloxane-3,4,5-triol?
The InChIKey is OSGBVBXSXZOGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O5/c1-5-23(12(2)3)9-8-14-11-22-17-10-15(6-7-16(14)17)28-21-20(26)19(25)18(24)13(4)27-21/h6-7,10-13,18-22,24-26H,5,8-9H2,1-4H3.
What are the key properties of 2-[[3-[2-[ethyl(propan-2-yl)amino]ethyl]-1H-indol-6-yl]oxy]-6-methyloxane-3,4,5-triol?
2-[[3-[2-[ethyl(propan-2-yl)amino]ethyl]-1H-indol-6-yl]oxy]-6-methyloxane-3,4,5-triol has a molecular weight of 392.50 g/mol, XLogP of 1.65, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[2-[ethyl(propan-2-yl)amino]ethyl]-1H-indol-6-yl]oxy]-6-methyloxane-3,4,5-triol is sourced from PubChem (CID 169222460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).