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

C21H26N2O3 — CID 3015428

IUPAC2,7-bis[2-(dimethylamino)ethoxy]fluoren-9-one
SMILESCN(C)CCOc1ccc2c(c1)C(=O)c1cc(OCCN(C)C)ccc1-2
InChIInChI=1S/C21H26N2O3/c1-22(2)9-11-25-15-5-7-17-18-8-6-16(26-12-10-23(3)4)14-20(18)21(24)19(17)13-15/h5-8,13-14H,9-12H2,1-4H3
InChIKeyWVGDOXLWDJMWGP-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.78
Rot. Bonds8

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

2,7-bis[2-(dimethylamino)ethoxy]fluoren-9-one (PubChem CID 3015428) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2,7-bis[2-(dimethylamino)ethoxy]fluoren-9-one.

Molecular Properties

Compound Name2,7-bis[2-(dimethylamino)ethoxy]fluoren-9-one
PubChem CID3015428
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name2,7-bis[2-(dimethylamino)ethoxy]fluoren-9-one
SMILESCN(C)CCOc1ccc2c(c1)C(=O)c1cc(OCCN(C)C)ccc1-2
InChIInChI=1S/C21H26N2O3/c1-22(2)9-11-25-15-5-7-17-18-8-6-16(26-12-10-23(3)4)14-20(18)21(24)19(17)13-15/h5-8,13-14H,9-12H2,1-4H3
InChIKeyWVGDOXLWDJMWGP-UHFFFAOYSA-N
XLogP2.78
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,7-bis[2-(dimethylamino)ethoxy]fluoren-9-one?
The IUPAC name of 2,7-bis[2-(dimethylamino)ethoxy]fluoren-9-one (CID 3015428) is 2,7-bis[2-(dimethylamino)ethoxy]fluoren-9-one.
What is the SMILES notation for 2,7-bis[2-(dimethylamino)ethoxy]fluoren-9-one?
The canonical SMILES for 2,7-bis[2-(dimethylamino)ethoxy]fluoren-9-one is CN(C)CCOc1ccc2c(c1)C(=O)c1cc(OCCN(C)C)ccc1-2.
What is the InChIKey of 2,7-bis[2-(dimethylamino)ethoxy]fluoren-9-one?
The InChIKey is WVGDOXLWDJMWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-22(2)9-11-25-15-5-7-17-18-8-6-16(26-12-10-23(3)4)14-20(18)21(24)19(17)13-15/h5-8,13-14H,9-12H2,1-4H3.
What are the key properties of 2,7-bis[2-(dimethylamino)ethoxy]fluoren-9-one?
2,7-bis[2-(dimethylamino)ethoxy]fluoren-9-one has a molecular weight of 354.45 g/mol, XLogP of 2.78, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis[2-(dimethylamino)ethoxy]fluoren-9-one is sourced from PubChem (CID 3015428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).