1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]indol-4-amine

C15H22N2O3 — CID 104562950

IUPAC1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]indol-4-amine
SMILESCOCCOCCOCCn1ccc2c(N)cccc21
InChIInChI=1S/C15H22N2O3/c1-18-9-10-20-12-11-19-8-7-17-6-5-13-14(16)3-2-4-15(13)17/h2-6H,7-12,16H2,1H3
InChIKeyCLHMLHGDBUZBNS-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.90
Rot. Bonds9

About 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]indol-4-amine

1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]indol-4-amine (PubChem CID 104562950) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]indol-4-amine.

Molecular Properties

Compound Name1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]indol-4-amine
PubChem CID104562950
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]indol-4-amine
SMILESCOCCOCCOCCn1ccc2c(N)cccc21
InChIInChI=1S/C15H22N2O3/c1-18-9-10-20-12-11-19-8-7-17-6-5-13-14(16)3-2-4-15(13)17/h2-6H,7-12,16H2,1H3
InChIKeyCLHMLHGDBUZBNS-UHFFFAOYSA-N
XLogP1.90
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(2-methoxyethoxy)propyl]indole-4-carbonitrile
CID 107919185
4-propoxy-1-(2-propoxyethyl)indole
CID 106458022
1-(4-methylpentyl)indol-4-amine
CID 83157136
2-methoxy-N-[[1-(2-propoxyethyl)indol-4-yl]methyl]ethanamine
CID 106455254
1-[3-(4-methoxyphenyl)propyl]indol-4-amine
CID 90090798
4-chloro-1-(2-propoxyethyl)indole
CID 106458079
1-(3-methoxypropyl)-4-methylindole
CID 116620203
[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]indol-3-yl]methanol
CID 104565359
1-(2-propoxyethyl)indole-4-carboxylic acid
CID 106453856
1-[7-(4-aminoindol-1-yl)heptyl]-5-methylpyrimidine-2,4-dione
CID 101155356
1-[6-(4-aminoindol-1-yl)hexyl]-5-methylpyrimidine-2,4-dione
CID 101155354
1-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]-N-methylmethanamine
CID 104565466

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]indol-4-amine?
The IUPAC name of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]indol-4-amine (CID 104562950) is 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]indol-4-amine.
What is the SMILES notation for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]indol-4-amine?
The canonical SMILES for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]indol-4-amine is COCCOCCOCCn1ccc2c(N)cccc21.
What is the InChIKey of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]indol-4-amine?
The InChIKey is CLHMLHGDBUZBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-18-9-10-20-12-11-19-8-7-17-6-5-13-14(16)3-2-4-15(13)17/h2-6H,7-12,16H2,1H3.
What are the key properties of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]indol-4-amine?
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]indol-4-amine has a molecular weight of 278.35 g/mol, XLogP of 1.90, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]indol-4-amine is sourced from PubChem (CID 104562950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).