2-[3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-4-yl]ethyl hydrogen carbonate

C16H22N2O3 — CID 175425600

IUPAC2-[3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-4-yl]ethyl hydrogen carbonate
SMILESCCN(C)CCc1c[nH]c2cccc(CCOC(=O)O)c12
InChIInChI=1S/C16H22N2O3/c1-3-18(2)9-7-13-11-17-14-6-4-5-12(15(13)14)8-10-21-16(19)20/h4-6,11,17H,3,7-10H2,1-2H3,(H,19,20)
InChIKeyBRXNRCBHKRGHOM-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.90
Rot. Bonds7

About 2-[3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-4-yl]ethyl hydrogen carbonate

2-[3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-4-yl]ethyl hydrogen carbonate (PubChem CID 175425600) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-4-yl]ethyl hydrogen carbonate.

Molecular Properties

Compound Name2-[3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-4-yl]ethyl hydrogen carbonate
PubChem CID175425600
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-4-yl]ethyl hydrogen carbonate
SMILESCCN(C)CCc1c[nH]c2cccc(CCOC(=O)O)c12
InChIInChI=1S/C16H22N2O3/c1-3-18(2)9-7-13-11-17-14-6-4-5-12(15(13)14)8-10-21-16(19)20/h4-6,11,17H,3,7-10H2,1-2H3,(H,19,20)
InChIKeyBRXNRCBHKRGHOM-UHFFFAOYSA-N
XLogP2.90
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-4-yl]oxy]-3-oxopropanoic acid
CID 169222515
[3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-4-yl] hexanoate
CID 177196026
bis[2-[2-[2-[2-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl] carbonate
CID 177308319
3-[2-[ethyl(methyl)amino]ethyl]-1,5-dihydropyrrolo[3,2-c]pyridin-4-one
CID 171726295
3-[2-(diethylamino)ethyl]-1H-indol-4-ol;hydrochloride
CID 165362448
N-ethyl-N-methyl-2-[4-[[(5S)-6-oxa-3-azabicyclo[3.1.1]heptan-3-yl]oxy]-1H-indol-3-yl]ethanamine
CID 170723206
3-[2-[3,3-difluoropropyl(methyl)amino]ethyl]-1H-indol-4-ol
CID 172624995
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 2-aminoacetate
CID 162733971
bis[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 2,3-dihydroxybutanedioate
CID 175530702
2-[2-(4-fluoro-1H-indol-3-yl)ethyl-methylamino]ethanol
CID 169001095
[3-[2-(diethylamino)ethyl]-1H-indol-4-yl] butanoate
CID 169222315
3-[2-(dimethylamino)ethyl]-1H-indol-4-ol;2-hydroxypropanoic acid
CID 175999379

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-4-yl]ethyl hydrogen carbonate?
The IUPAC name of 2-[3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-4-yl]ethyl hydrogen carbonate (CID 175425600) is 2-[3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-4-yl]ethyl hydrogen carbonate.
What is the SMILES notation for 2-[3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-4-yl]ethyl hydrogen carbonate?
The canonical SMILES for 2-[3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-4-yl]ethyl hydrogen carbonate is CCN(C)CCc1c[nH]c2cccc(CCOC(=O)O)c12.
What is the InChIKey of 2-[3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-4-yl]ethyl hydrogen carbonate?
The InChIKey is BRXNRCBHKRGHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-18(2)9-7-13-11-17-14-6-4-5-12(15(13)14)8-10-21-16(19)20/h4-6,11,17H,3,7-10H2,1-2H3,(H,19,20).
What are the key properties of 2-[3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-4-yl]ethyl hydrogen carbonate?
2-[3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-4-yl]ethyl hydrogen carbonate has a molecular weight of 290.36 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-4-yl]ethyl hydrogen carbonate is sourced from PubChem (CID 175425600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).