3-(2,2-diethoxyethyl)-1H-indole

C14H19NO2 — CID 13270992

IUPAC3-(2,2-diethoxyethyl)-1H-indole
SMILESCCOC(Cc1c[nH]c2ccccc12)OCC
InChIInChI=1S/C14H19NO2/c1-3-16-14(17-4-2)9-11-10-15-13-8-6-5-7-12(11)13/h5-8,10,14-15H,3-4,9H2,1-2H3
InChIKeyUWUYCRGAVBRCRQ-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.11
Rot. Bonds6

About 3-(2,2-diethoxyethyl)-1H-indole

3-(2,2-diethoxyethyl)-1H-indole (PubChem CID 13270992) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-(2,2-diethoxyethyl)-1H-indole.

Molecular Properties

Compound Name3-(2,2-diethoxyethyl)-1H-indole
PubChem CID13270992
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name3-(2,2-diethoxyethyl)-1H-indole
SMILESCCOC(Cc1c[nH]c2ccccc12)OCC
InChIInChI=1S/C14H19NO2/c1-3-16-14(17-4-2)9-11-10-15-13-8-6-5-7-12(11)13/h5-8,10,14-15H,3-4,9H2,1-2H3
InChIKeyUWUYCRGAVBRCRQ-UHFFFAOYSA-N
XLogP3.11
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3-(2,2-diethoxyethyl)-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1H-indol-3-yl)butan-2-amine
CID 8367
ethyl (2S)-3-(1H-indol-3-yl)-2-methylpropanoate
CID 170617475
ethyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate
CID 688583
3-(2-fluoropropyl)-1H-indole
CID 142409179
2-(1H-indol-3-yl)ethane-1,1-diol
CID 21400411
ethyl 2-amino-3-(1H-indol-3-yl)propanoate chloride
CID 16637454
1-(1H-indol-3-yl)propan-2-amine;dihydrochloride
CID 141487070
N-(4,4-diethoxybutyl)-2-(1H-indol-3-yl)acetamide
CID 23660155
(2S)-1-(1H-indol-3-yl)-N-methylbutan-2-amine
CID 96657140
ethyl 2-(diacetylamino)-3-(1H-indol-3-yl)propanoate
CID 66881182
1-(2,2-diethoxyethyl)naphthalene
CID 146004800
N-[1,1-diethoxy-3-(1H-indol-3-yl)propan-2-yl]benzamide
CID 11748904

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-diethoxyethyl)-1H-indole?
The IUPAC name of 3-(2,2-diethoxyethyl)-1H-indole (CID 13270992) is 3-(2,2-diethoxyethyl)-1H-indole.
What is the SMILES notation for 3-(2,2-diethoxyethyl)-1H-indole?
The canonical SMILES for 3-(2,2-diethoxyethyl)-1H-indole is CCOC(Cc1c[nH]c2ccccc12)OCC.
What is the InChIKey of 3-(2,2-diethoxyethyl)-1H-indole?
The InChIKey is UWUYCRGAVBRCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-16-14(17-4-2)9-11-10-15-13-8-6-5-7-12(11)13/h5-8,10,14-15H,3-4,9H2,1-2H3.
What are the key properties of 3-(2,2-diethoxyethyl)-1H-indole?
3-(2,2-diethoxyethyl)-1H-indole has a molecular weight of 233.31 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-diethoxyethyl)-1H-indole is sourced from PubChem (CID 13270992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).