ethane;3-(2-propan-2-yloxyethoxymethyl)-1H-indole

C16H25NO2 — CID 162382666

IUPACethane;3-(2-propan-2-yloxyethoxymethyl)-1H-indole
SMILESCC.CC(C)OCCOCc1c[nH]c2ccccc12
InChIInChI=1S/C14H19NO2.C2H6/c1-11(2)17-8-7-16-10-12-9-15-14-6-4-3-5-13(12)14;1-2/h3-6,9,11,15H,7-8,10H2,1-2H3;1-2H3
InChIKeyJMXBUUKLMCHHLR-UHFFFAOYSA-N
MW263.38 g/mol
LogP4.14
Rot. Bonds6

About ethane;3-(2-propan-2-yloxyethoxymethyl)-1H-indole

ethane;3-(2-propan-2-yloxyethoxymethyl)-1H-indole (PubChem CID 162382666) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is ethane;3-(2-propan-2-yloxyethoxymethyl)-1H-indole.

Molecular Properties

Compound Nameethane;3-(2-propan-2-yloxyethoxymethyl)-1H-indole
PubChem CID162382666
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Nameethane;3-(2-propan-2-yloxyethoxymethyl)-1H-indole
SMILESCC.CC(C)OCCOCc1c[nH]c2ccccc12
InChIInChI=1S/C14H19NO2.C2H6/c1-11(2)17-8-7-16-10-12-9-15-14-6-4-3-5-13(12)14;1-2/h3-6,9,11,15H,7-8,10H2,1-2H3;1-2H3
InChIKeyJMXBUUKLMCHHLR-UHFFFAOYSA-N
XLogP4.14
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-butoxyethoxymethyl)-1H-indole
CID 170026561
3-(octacosoxymethyl)-1H-indole
CID 11512197
2-(1H-indol-3-ylmethoxy)ethanol;molecular hydrogen;propane
CID 171659157
ethane;methyl 3-(1H-indol-3-yl)-2-methylpropanoate
CID 169189360
3-(2-fluoropropyl)-1H-indole
CID 142409179
3-[2-(methoxymethoxy)ethyl]-1H-indole
CID 15147146
3-(2,2-diethoxyethyl)-1H-indole
CID 13270992
1-(1H-indol-3-yl)propan-2-amine;dihydrochloride
CID 141487070
(2R)-N-(1H-indol-3-ylmethyl)butan-2-amine
CID 92864086
1-(1H-indol-3-yl)butan-2-amine
CID 8367
ethyl (2S)-3-(1H-indol-3-yl)-2-methylpropanoate
CID 170617475
3-ethyl-1H-indole;methanamine
CID 142222050

Frequently Asked Questions

What is the IUPAC name of ethane;3-(2-propan-2-yloxyethoxymethyl)-1H-indole?
The IUPAC name of ethane;3-(2-propan-2-yloxyethoxymethyl)-1H-indole (CID 162382666) is ethane;3-(2-propan-2-yloxyethoxymethyl)-1H-indole.
What is the SMILES notation for ethane;3-(2-propan-2-yloxyethoxymethyl)-1H-indole?
The canonical SMILES for ethane;3-(2-propan-2-yloxyethoxymethyl)-1H-indole is CC.CC(C)OCCOCc1c[nH]c2ccccc12.
What is the InChIKey of ethane;3-(2-propan-2-yloxyethoxymethyl)-1H-indole?
The InChIKey is JMXBUUKLMCHHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2.C2H6/c1-11(2)17-8-7-16-10-12-9-15-14-6-4-3-5-13(12)14;1-2/h3-6,9,11,15H,7-8,10H2,1-2H3;1-2H3.
What are the key properties of ethane;3-(2-propan-2-yloxyethoxymethyl)-1H-indole?
ethane;3-(2-propan-2-yloxyethoxymethyl)-1H-indole has a molecular weight of 263.38 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(2-propan-2-yloxyethoxymethyl)-1H-indole is sourced from PubChem (CID 162382666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).