3-[2-(benzhydrylamino)ethyl]-1-ethyl-6-fluoroindol-4-ol

C25H25FN2O — CID 58303915

IUPAC3-[2-(benzhydrylamino)ethyl]-1-ethyl-6-fluoroindol-4-ol
SMILESCCn1cc(CCNC(c2ccccc2)c2ccccc2)c2c(O)cc(F)cc21
InChIInChI=1S/C25H25FN2O/c1-2-28-17-20(24-22(28)15-21(26)16-23(24)29)13-14-27-25(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,15-17,25,27,29H,2,13-14H2,1H3
InChIKeyQFLSQCRUHJQJLI-UHFFFAOYSA-N
MW388.49 g/mol
LogP5.43
Rot. Bonds7

About 3-[2-(benzhydrylamino)ethyl]-1-ethyl-6-fluoroindol-4-ol

3-[2-(benzhydrylamino)ethyl]-1-ethyl-6-fluoroindol-4-ol (PubChem CID 58303915) has the molecular formula C25H25FN2O and a molecular weight of 388.49 g/mol. Its IUPAC name is 3-[2-(benzhydrylamino)ethyl]-1-ethyl-6-fluoroindol-4-ol.

Molecular Properties

Compound Name3-[2-(benzhydrylamino)ethyl]-1-ethyl-6-fluoroindol-4-ol
PubChem CID58303915
Molecular FormulaC25H25FN2O
Molecular Weight388.49 g/mol
Exact Mass388.20
IUPAC Name3-[2-(benzhydrylamino)ethyl]-1-ethyl-6-fluoroindol-4-ol
SMILESCCn1cc(CCNC(c2ccccc2)c2ccccc2)c2c(O)cc(F)cc21
InChIInChI=1S/C25H25FN2O/c1-2-28-17-20(24-22(28)15-21(26)16-23(24)29)13-14-27-25(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,15-17,25,27,29H,2,13-14H2,1H3
InChIKeyQFLSQCRUHJQJLI-UHFFFAOYSA-N
XLogP5.43
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.49
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(benzhydrylamino)ethyl]-1-ethyl-6-fluoroindol-4-ol?
The IUPAC name of 3-[2-(benzhydrylamino)ethyl]-1-ethyl-6-fluoroindol-4-ol (CID 58303915) is 3-[2-(benzhydrylamino)ethyl]-1-ethyl-6-fluoroindol-4-ol.
What is the SMILES notation for 3-[2-(benzhydrylamino)ethyl]-1-ethyl-6-fluoroindol-4-ol?
The canonical SMILES for 3-[2-(benzhydrylamino)ethyl]-1-ethyl-6-fluoroindol-4-ol is CCn1cc(CCNC(c2ccccc2)c2ccccc2)c2c(O)cc(F)cc21.
What is the InChIKey of 3-[2-(benzhydrylamino)ethyl]-1-ethyl-6-fluoroindol-4-ol?
The InChIKey is QFLSQCRUHJQJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O/c1-2-28-17-20(24-22(28)15-21(26)16-23(24)29)13-14-27-25(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,15-17,25,27,29H,2,13-14H2,1H3.
What are the key properties of 3-[2-(benzhydrylamino)ethyl]-1-ethyl-6-fluoroindol-4-ol?
3-[2-(benzhydrylamino)ethyl]-1-ethyl-6-fluoroindol-4-ol has a molecular weight of 388.49 g/mol, XLogP of 5.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(benzhydrylamino)ethyl]-1-ethyl-6-fluoroindol-4-ol is sourced from PubChem (CID 58303915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).