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

C25H34N2O3 — CID 5475

IUPAC2,7-bis[2-(diethylamino)ethoxy]fluoren-9-one
SMILESCCN(CC)CCOc1ccc2c(c1)C(=O)c1cc(OCCN(CC)CC)ccc1-2
InChIInChI=1S/C25H34N2O3/c1-5-26(6-2)13-15-29-19-9-11-21-22-12-10-20(30-16-14-27(7-3)8-4)18-24(22)25(28)23(21)17-19/h9-12,17-18H,5-8,13-16H2,1-4H3
InChIKeyMPMFCABZENCRHV-UHFFFAOYSA-N
MW410.56 g/mol
LogP4.34
Rot. Bonds12

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

2,7-bis[2-(diethylamino)ethoxy]fluoren-9-one (PubChem CID 5475) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is 2,7-bis[2-(diethylamino)ethoxy]fluoren-9-one.

Molecular Properties

Compound Name2,7-bis[2-(diethylamino)ethoxy]fluoren-9-one
PubChem CID5475
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC Name2,7-bis[2-(diethylamino)ethoxy]fluoren-9-one
SMILESCCN(CC)CCOc1ccc2c(c1)C(=O)c1cc(OCCN(CC)CC)ccc1-2
InChIInChI=1S/C25H34N2O3/c1-5-26(6-2)13-15-29-19-9-11-21-22-12-10-20(30-16-14-27(7-3)8-4)18-24(22)25(28)23(21)17-19/h9-12,17-18H,5-8,13-16H2,1-4H3
InChIKeyMPMFCABZENCRHV-UHFFFAOYSA-N
XLogP4.34
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Tilorone Hydrochloride
CID 33958
Benflurone
CID 54569
[4-[2-(Diethylamino)ethoxy]phenyl]phenylmethanone
CID 69931
2,7-Bis-[(3R)-1-azabicyclo[2.2.2]octan-3-yloxy]-fluoren-9-one
CID 11247432
Deae-F
CID 9868219
2-Methoxyfluoren-9-one
CID 245489
1-(4-(2-Dimethylamino)-2-ethoxyphenyl butanone
CID 9861546
Trioxifene
CID 50139
2-({7-[2-(diethylamino)ethoxy]-9H-fluoren-2-yl}oxy)-N,N-diethylethanamine
CID 998412
2,7-Bis[2-(dimethylamino)ethoxy]fluoren-9-one
CID 3015428
1-Benzyl-4-[(6-methoxy-1-oxoindan-2-yl)methyl]piperidine
CID 10593952
2-[(3S)-1-azabicyclo[2.2.2]octan-3-yloxy]-fluoren-9-one
CID 11220466

Frequently Asked Questions

What is the IUPAC name of 2,7-bis[2-(diethylamino)ethoxy]fluoren-9-one?
The IUPAC name of 2,7-bis[2-(diethylamino)ethoxy]fluoren-9-one (CID 5475) is 2,7-bis[2-(diethylamino)ethoxy]fluoren-9-one.
What is the SMILES notation for 2,7-bis[2-(diethylamino)ethoxy]fluoren-9-one?
The canonical SMILES for 2,7-bis[2-(diethylamino)ethoxy]fluoren-9-one is CCN(CC)CCOc1ccc2c(c1)C(=O)c1cc(OCCN(CC)CC)ccc1-2.
What is the InChIKey of 2,7-bis[2-(diethylamino)ethoxy]fluoren-9-one?
The InChIKey is MPMFCABZENCRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3/c1-5-26(6-2)13-15-29-19-9-11-21-22-12-10-20(30-16-14-27(7-3)8-4)18-24(22)25(28)23(21)17-19/h9-12,17-18H,5-8,13-16H2,1-4H3.
What are the key properties of 2,7-bis[2-(diethylamino)ethoxy]fluoren-9-one?
2,7-bis[2-(diethylamino)ethoxy]fluoren-9-one has a molecular weight of 410.56 g/mol, XLogP of 4.34, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis[2-(diethylamino)ethoxy]fluoren-9-one is sourced from PubChem (CID 5475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).