1-ethyl-6-fluoro-3-[2-(2-phenylethylamino)ethyl]indol-4-ol

C20H23FN2O — CID 58304019

IUPAC1-ethyl-6-fluoro-3-[2-(2-phenylethylamino)ethyl]indol-4-ol
SMILESCCn1cc(CCNCCc2ccccc2)c2c(O)cc(F)cc21
InChIInChI=1S/C20H23FN2O/c1-2-23-14-16(20-18(23)12-17(21)13-19(20)24)9-11-22-10-8-15-6-4-3-5-7-15/h3-7,12-14,22,24H,2,8-11H2,1H3
InChIKeyJPSGHHYTTJYOGU-UHFFFAOYSA-N
MW326.41 g/mol
LogP3.88
Rot. Bonds7

About 1-ethyl-6-fluoro-3-[2-(2-phenylethylamino)ethyl]indol-4-ol

1-ethyl-6-fluoro-3-[2-(2-phenylethylamino)ethyl]indol-4-ol (PubChem CID 58304019) has the molecular formula C20H23FN2O and a molecular weight of 326.41 g/mol. Its IUPAC name is 1-ethyl-6-fluoro-3-[2-(2-phenylethylamino)ethyl]indol-4-ol.

Molecular Properties

Compound Name1-ethyl-6-fluoro-3-[2-(2-phenylethylamino)ethyl]indol-4-ol
PubChem CID58304019
Molecular FormulaC20H23FN2O
Molecular Weight326.41 g/mol
Exact Mass326.18
IUPAC Name1-ethyl-6-fluoro-3-[2-(2-phenylethylamino)ethyl]indol-4-ol
SMILESCCn1cc(CCNCCc2ccccc2)c2c(O)cc(F)cc21
InChIInChI=1S/C20H23FN2O/c1-2-23-14-16(20-18(23)12-17(21)13-19(20)24)9-11-22-10-8-15-6-4-3-5-7-15/h3-7,12-14,22,24H,2,8-11H2,1H3
InChIKeyJPSGHHYTTJYOGU-UHFFFAOYSA-N
XLogP3.88
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.41
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-fluoro-3-[2-(2-phenylethylamino)ethyl]indol-4-ol?
The IUPAC name of 1-ethyl-6-fluoro-3-[2-(2-phenylethylamino)ethyl]indol-4-ol (CID 58304019) is 1-ethyl-6-fluoro-3-[2-(2-phenylethylamino)ethyl]indol-4-ol.
What is the SMILES notation for 1-ethyl-6-fluoro-3-[2-(2-phenylethylamino)ethyl]indol-4-ol?
The canonical SMILES for 1-ethyl-6-fluoro-3-[2-(2-phenylethylamino)ethyl]indol-4-ol is CCn1cc(CCNCCc2ccccc2)c2c(O)cc(F)cc21.
What is the InChIKey of 1-ethyl-6-fluoro-3-[2-(2-phenylethylamino)ethyl]indol-4-ol?
The InChIKey is JPSGHHYTTJYOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O/c1-2-23-14-16(20-18(23)12-17(21)13-19(20)24)9-11-22-10-8-15-6-4-3-5-7-15/h3-7,12-14,22,24H,2,8-11H2,1H3.
What are the key properties of 1-ethyl-6-fluoro-3-[2-(2-phenylethylamino)ethyl]indol-4-ol?
1-ethyl-6-fluoro-3-[2-(2-phenylethylamino)ethyl]indol-4-ol has a molecular weight of 326.41 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-fluoro-3-[2-(2-phenylethylamino)ethyl]indol-4-ol is sourced from PubChem (CID 58304019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).