2-[[7-[2-(diethylamino)ethoxy]-9H-fluoren-2-yl]oxy]-N,N-diethylethanamine

C25H36N2O2 — CID 998412

IUPAC2-[[7-[2-(diethylamino)ethoxy]-9H-fluoren-2-yl]oxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOc1ccc2c(c1)Cc1cc(OCCN(CC)CC)ccc1-2
InChIInChI=1S/C25H36N2O2/c1-5-26(6-2)13-15-28-22-9-11-24-20(18-22)17-21-19-23(10-12-25(21)24)29-16-14-27(7-3)8-4/h9-12,18-19H,5-8,13-17H2,1-4H3
InChIKeyOGASKEFEDVPEBM-UHFFFAOYSA-N
MW396.58 g/mol
LogP4.70
Rot. Bonds12

About 2-[[7-[2-(diethylamino)ethoxy]-9H-fluoren-2-yl]oxy]-N,N-diethylethanamine

2-[[7-[2-(diethylamino)ethoxy]-9H-fluoren-2-yl]oxy]-N,N-diethylethanamine (PubChem CID 998412) has the molecular formula C25H36N2O2 and a molecular weight of 396.58 g/mol. Its IUPAC name is 2-[[7-[2-(diethylamino)ethoxy]-9H-fluoren-2-yl]oxy]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[[7-[2-(diethylamino)ethoxy]-9H-fluoren-2-yl]oxy]-N,N-diethylethanamine
PubChem CID998412
Molecular FormulaC25H36N2O2
Molecular Weight396.58 g/mol
Exact Mass396.28
IUPAC Name2-[[7-[2-(diethylamino)ethoxy]-9H-fluoren-2-yl]oxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOc1ccc2c(c1)Cc1cc(OCCN(CC)CC)ccc1-2
InChIInChI=1S/C25H36N2O2/c1-5-26(6-2)13-15-28-22-9-11-24-20(18-22)17-21-19-23(10-12-25(21)24)29-16-14-27(7-3)8-4/h9-12,18-19H,5-8,13-17H2,1-4H3
InChIKeyOGASKEFEDVPEBM-UHFFFAOYSA-N
XLogP4.70
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.58
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[7-[2-(diethylamino)ethoxy]-9H-fluoren-2-yl]oxy]-N,N-diethylethanamine?
The IUPAC name of 2-[[7-[2-(diethylamino)ethoxy]-9H-fluoren-2-yl]oxy]-N,N-diethylethanamine (CID 998412) is 2-[[7-[2-(diethylamino)ethoxy]-9H-fluoren-2-yl]oxy]-N,N-diethylethanamine.
What is the SMILES notation for 2-[[7-[2-(diethylamino)ethoxy]-9H-fluoren-2-yl]oxy]-N,N-diethylethanamine?
The canonical SMILES for 2-[[7-[2-(diethylamino)ethoxy]-9H-fluoren-2-yl]oxy]-N,N-diethylethanamine is CCN(CC)CCOc1ccc2c(c1)Cc1cc(OCCN(CC)CC)ccc1-2.
What is the InChIKey of 2-[[7-[2-(diethylamino)ethoxy]-9H-fluoren-2-yl]oxy]-N,N-diethylethanamine?
The InChIKey is OGASKEFEDVPEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O2/c1-5-26(6-2)13-15-28-22-9-11-24-20(18-22)17-21-19-23(10-12-25(21)24)29-16-14-27(7-3)8-4/h9-12,18-19H,5-8,13-17H2,1-4H3.
What are the key properties of 2-[[7-[2-(diethylamino)ethoxy]-9H-fluoren-2-yl]oxy]-N,N-diethylethanamine?
2-[[7-[2-(diethylamino)ethoxy]-9H-fluoren-2-yl]oxy]-N,N-diethylethanamine has a molecular weight of 396.58 g/mol, XLogP of 4.70, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-[2-(diethylamino)ethoxy]-9H-fluoren-2-yl]oxy]-N,N-diethylethanamine is sourced from PubChem (CID 998412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).