1-[2-(2-methylpropoxy)ethyl]-4-propan-2-yloxyindole

C17H25NO2 — CID 106458016

IUPAC1-[2-(2-methylpropoxy)ethyl]-4-propan-2-yloxyindole
SMILESCC(C)COCCn1ccc2c(OC(C)C)cccc21
InChIInChI=1S/C17H25NO2/c1-13(2)12-19-11-10-18-9-8-15-16(18)6-5-7-17(15)20-14(3)4/h5-9,13-14H,10-12H2,1-4H3
InChIKeyUANUQKDYLSXWNN-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.10
Rot. Bonds7

About 1-[2-(2-methylpropoxy)ethyl]-4-propan-2-yloxyindole

1-[2-(2-methylpropoxy)ethyl]-4-propan-2-yloxyindole (PubChem CID 106458016) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-[2-(2-methylpropoxy)ethyl]-4-propan-2-yloxyindole.

Molecular Properties

Compound Name1-[2-(2-methylpropoxy)ethyl]-4-propan-2-yloxyindole
PubChem CID106458016
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-[2-(2-methylpropoxy)ethyl]-4-propan-2-yloxyindole
SMILESCC(C)COCCn1ccc2c(OC(C)C)cccc21
InChIInChI=1S/C17H25NO2/c1-13(2)12-19-11-10-18-9-8-15-16(18)6-5-7-17(15)20-14(3)4/h5-9,13-14H,10-12H2,1-4H3
InChIKeyUANUQKDYLSXWNN-UHFFFAOYSA-N
XLogP4.10
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-1-amine
CID 83164753
N-[[1-[2-(2-methylpropoxy)ethyl]indol-4-yl]methyl]propan-2-amine
CID 106455248
1-(3-methylbut-3-enyl)-4-propan-2-yloxyindole
CID 114476720
4-propan-2-yloxy-1-(2-pyrrolidin-1-ylethyl)indole
CID 83162517
1-hept-6-enyl-4-propan-2-yloxyindole
CID 107010208
3-methyl-N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-2-amine
CID 83164736
5-(4-propan-2-yloxyindol-1-yl)pentanoic acid
CID 83163319
N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-1-amine
CID 83163508
3-(4-propan-2-yloxyindol-1-yl)propane-1,2-diol
CID 83174239
4-propan-2-yloxy-1-(2-thiophen-3-ylethyl)indole
CID 83163450
4-propan-2-yloxy-1-(pyrimidin-2-ylmethyl)indole
CID 83174058
2,2-dimethyl-5-(4-propan-2-yloxyindol-1-yl)pentanenitrile
CID 83165281

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpropoxy)ethyl]-4-propan-2-yloxyindole?
The IUPAC name of 1-[2-(2-methylpropoxy)ethyl]-4-propan-2-yloxyindole (CID 106458016) is 1-[2-(2-methylpropoxy)ethyl]-4-propan-2-yloxyindole.
What is the SMILES notation for 1-[2-(2-methylpropoxy)ethyl]-4-propan-2-yloxyindole?
The canonical SMILES for 1-[2-(2-methylpropoxy)ethyl]-4-propan-2-yloxyindole is CC(C)COCCn1ccc2c(OC(C)C)cccc21.
What is the InChIKey of 1-[2-(2-methylpropoxy)ethyl]-4-propan-2-yloxyindole?
The InChIKey is UANUQKDYLSXWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13(2)12-19-11-10-18-9-8-15-16(18)6-5-7-17(15)20-14(3)4/h5-9,13-14H,10-12H2,1-4H3.
What are the key properties of 1-[2-(2-methylpropoxy)ethyl]-4-propan-2-yloxyindole?
1-[2-(2-methylpropoxy)ethyl]-4-propan-2-yloxyindole has a molecular weight of 275.39 g/mol, XLogP of 4.10, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpropoxy)ethyl]-4-propan-2-yloxyindole is sourced from PubChem (CID 106458016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).