2,7-bis[2-(ethylamino)ethoxy]fluoren-9-one

C21H26N2O3 — CID 57398120

IUPAC2,7-bis[2-(ethylamino)ethoxy]fluoren-9-one
SMILESCCNCCOc1ccc2c(c1)C(=O)c1cc(OCCNCC)ccc1-2
InChIInChI=1S/C21H26N2O3/c1-3-22-9-11-25-15-5-7-17-18-8-6-16(26-12-10-23-4-2)14-20(18)21(24)19(17)13-15/h5-8,13-14,22-23H,3-4,9-12H2,1-2H3
InChIKeySKGBXDYSNPSLFB-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.87
Rot. Bonds10

About 2,7-bis[2-(ethylamino)ethoxy]fluoren-9-one

2,7-bis[2-(ethylamino)ethoxy]fluoren-9-one (PubChem CID 57398120) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2,7-bis[2-(ethylamino)ethoxy]fluoren-9-one.

Molecular Properties

Compound Name2,7-bis[2-(ethylamino)ethoxy]fluoren-9-one
PubChem CID57398120
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name2,7-bis[2-(ethylamino)ethoxy]fluoren-9-one
SMILESCCNCCOc1ccc2c(c1)C(=O)c1cc(OCCNCC)ccc1-2
InChIInChI=1S/C21H26N2O3/c1-3-22-9-11-25-15-5-7-17-18-8-6-16(26-12-10-23-4-2)14-20(18)21(24)19(17)13-15/h5-8,13-14,22-23H,3-4,9-12H2,1-2H3
InChIKeySKGBXDYSNPSLFB-UHFFFAOYSA-N
XLogP2.87
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2,7-bis[2-(ethylamino)ethoxy]fluoren-9-one?
The IUPAC name of 2,7-bis[2-(ethylamino)ethoxy]fluoren-9-one (CID 57398120) is 2,7-bis[2-(ethylamino)ethoxy]fluoren-9-one.
What is the SMILES notation for 2,7-bis[2-(ethylamino)ethoxy]fluoren-9-one?
The canonical SMILES for 2,7-bis[2-(ethylamino)ethoxy]fluoren-9-one is CCNCCOc1ccc2c(c1)C(=O)c1cc(OCCNCC)ccc1-2.
What is the InChIKey of 2,7-bis[2-(ethylamino)ethoxy]fluoren-9-one?
The InChIKey is SKGBXDYSNPSLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-3-22-9-11-25-15-5-7-17-18-8-6-16(26-12-10-23-4-2)14-20(18)21(24)19(17)13-15/h5-8,13-14,22-23H,3-4,9-12H2,1-2H3.
What are the key properties of 2,7-bis[2-(ethylamino)ethoxy]fluoren-9-one?
2,7-bis[2-(ethylamino)ethoxy]fluoren-9-one has a molecular weight of 354.45 g/mol, XLogP of 2.87, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis[2-(ethylamino)ethoxy]fluoren-9-one is sourced from PubChem (CID 57398120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).