3-(2-anilinoethyl)-1-ethyl-7-fluoroindol-4-ol

C18H19FN2O — CID 50995816

IUPAC3-(2-anilinoethyl)-1-ethyl-7-fluoroindol-4-ol
SMILESCCn1cc(CCNc2ccccc2)c2c(O)ccc(F)c21
InChIInChI=1S/C18H19FN2O/c1-2-21-12-13(10-11-20-14-6-4-3-5-7-14)17-16(22)9-8-15(19)18(17)21/h3-9,12,20,22H,2,10-11H2,1H3
InChIKeyZNGWHDKGVCCQDJ-UHFFFAOYSA-N
MW298.36 g/mol
LogP4.16
Rot. Bonds5

About 3-(2-anilinoethyl)-1-ethyl-7-fluoroindol-4-ol

3-(2-anilinoethyl)-1-ethyl-7-fluoroindol-4-ol (PubChem CID 50995816) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is 3-(2-anilinoethyl)-1-ethyl-7-fluoroindol-4-ol.

Molecular Properties

Compound Name3-(2-anilinoethyl)-1-ethyl-7-fluoroindol-4-ol
PubChem CID50995816
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name3-(2-anilinoethyl)-1-ethyl-7-fluoroindol-4-ol
SMILESCCn1cc(CCNc2ccccc2)c2c(O)ccc(F)c21
InChIInChI=1S/C18H19FN2O/c1-2-21-12-13(10-11-20-14-6-4-3-5-7-14)17-16(22)9-8-15(19)18(17)21/h3-9,12,20,22H,2,10-11H2,1H3
InChIKeyZNGWHDKGVCCQDJ-UHFFFAOYSA-N
XLogP4.16
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-anilinoethyl)-1-ethyl-7-fluoroindol-4-ol?
The IUPAC name of 3-(2-anilinoethyl)-1-ethyl-7-fluoroindol-4-ol (CID 50995816) is 3-(2-anilinoethyl)-1-ethyl-7-fluoroindol-4-ol.
What is the SMILES notation for 3-(2-anilinoethyl)-1-ethyl-7-fluoroindol-4-ol?
The canonical SMILES for 3-(2-anilinoethyl)-1-ethyl-7-fluoroindol-4-ol is CCn1cc(CCNc2ccccc2)c2c(O)ccc(F)c21.
What is the InChIKey of 3-(2-anilinoethyl)-1-ethyl-7-fluoroindol-4-ol?
The InChIKey is ZNGWHDKGVCCQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O/c1-2-21-12-13(10-11-20-14-6-4-3-5-7-14)17-16(22)9-8-15(19)18(17)21/h3-9,12,20,22H,2,10-11H2,1H3.
What are the key properties of 3-(2-anilinoethyl)-1-ethyl-7-fluoroindol-4-ol?
3-(2-anilinoethyl)-1-ethyl-7-fluoroindol-4-ol has a molecular weight of 298.36 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-anilinoethyl)-1-ethyl-7-fluoroindol-4-ol is sourced from PubChem (CID 50995816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).