4-ethoxy-1-(2-pyrrolidin-1-ylethyl)indole

C16H22N2O — CID 83173234

IUPAC4-ethoxy-1-(2-pyrrolidin-1-ylethyl)indole
SMILESCCOc1cccc2c1ccn2CCN1CCCC1
InChIInChI=1S/C16H22N2O/c1-2-19-16-7-5-6-15-14(16)8-11-18(15)13-12-17-9-3-4-10-17/h5-8,11H,2-4,9-10,12-13H2,1H3
InChIKeyWOTBLGOMEVQWHP-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.14
Rot. Bonds5

About 4-ethoxy-1-(2-pyrrolidin-1-ylethyl)indole

4-ethoxy-1-(2-pyrrolidin-1-ylethyl)indole (PubChem CID 83173234) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 4-ethoxy-1-(2-pyrrolidin-1-ylethyl)indole.

Molecular Properties

Compound Name4-ethoxy-1-(2-pyrrolidin-1-ylethyl)indole
PubChem CID83173234
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name4-ethoxy-1-(2-pyrrolidin-1-ylethyl)indole
SMILESCCOc1cccc2c1ccn2CCN1CCCC1
InChIInChI=1S/C16H22N2O/c1-2-19-16-7-5-6-15-14(16)8-11-18(15)13-12-17-9-3-4-10-17/h5-8,11H,2-4,9-10,12-13H2,1H3
InChIKeyWOTBLGOMEVQWHP-UHFFFAOYSA-N
XLogP3.14
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-propan-2-yloxy-1-(2-pyrrolidin-1-ylethyl)indole
CID 83162517
2-(4-ethoxyindol-1-yl)ethanol
CID 83174332
N-[2-(4-ethoxyindol-1-yl)ethyl]pentan-3-amine
CID 83162426
1-(cyclopropylmethyl)-4-ethoxyindole
CID 83173607
5-(4-ethoxyindol-1-yl)pentan-2-one
CID 83163108
1-[3-ethoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine
CID 60883395
2-(4-ethoxyindol-1-yl)acetic acid
CID 83162473
4-ethoxy-1-(2-methylbutyl)indole
CID 83173509
1-(2-pyrrolidin-1-ylethyl)indole-4-carboxylic acid
CID 43316574
4-(4-ethoxyindol-1-yl)-2,2-dimethylbutanoic acid
CID 83162756
4-ethoxy-1-(2-thiophen-3-ylethyl)indole
CID 83173883
2-(4-ethoxyindol-1-yl)-N-ethylacetamide
CID 83173518

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(2-pyrrolidin-1-ylethyl)indole?
The IUPAC name of 4-ethoxy-1-(2-pyrrolidin-1-ylethyl)indole (CID 83173234) is 4-ethoxy-1-(2-pyrrolidin-1-ylethyl)indole.
What is the SMILES notation for 4-ethoxy-1-(2-pyrrolidin-1-ylethyl)indole?
The canonical SMILES for 4-ethoxy-1-(2-pyrrolidin-1-ylethyl)indole is CCOc1cccc2c1ccn2CCN1CCCC1.
What is the InChIKey of 4-ethoxy-1-(2-pyrrolidin-1-ylethyl)indole?
The InChIKey is WOTBLGOMEVQWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-2-19-16-7-5-6-15-14(16)8-11-18(15)13-12-17-9-3-4-10-17/h5-8,11H,2-4,9-10,12-13H2,1H3.
What are the key properties of 4-ethoxy-1-(2-pyrrolidin-1-ylethyl)indole?
4-ethoxy-1-(2-pyrrolidin-1-ylethyl)indole has a molecular weight of 258.37 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-(2-pyrrolidin-1-ylethyl)indole is sourced from PubChem (CID 83173234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).