2-[[1-[2-(diethylamino)ethoxy]-9H-fluoren-2-yl]oxy]-N,N-diethylethanamine;dihydrochloride

C25H38Cl2N2O2 — CID 141137663

IUPAC2-[[1-[2-(diethylamino)ethoxy]-9H-fluoren-2-yl]oxy]-N,N-diethylethanamine;dihydrochloride
SMILESCCN(CC)CCOc1ccc2c(c1OCCN(CC)CC)Cc1ccccc1-2.Cl.Cl
InChIInChI=1S/C25H36N2O2.2ClH/c1-5-26(6-2)15-17-28-24-14-13-22-21-12-10-9-11-20(21)19-23(22)25(24)29-18-16-27(7-3)8-4;;/h9-14H,5-8,15-19H2,1-4H3;2*1H
InChIKeyRIXPNXONBZFQLJ-UHFFFAOYSA-N
MW469.50 g/mol
LogP5.54
Rot. Bonds12

About 2-[[1-[2-(diethylamino)ethoxy]-9H-fluoren-2-yl]oxy]-N,N-diethylethanamine;dihydrochloride

2-[[1-[2-(diethylamino)ethoxy]-9H-fluoren-2-yl]oxy]-N,N-diethylethanamine;dihydrochloride (PubChem CID 141137663) has the molecular formula C25H38Cl2N2O2 and a molecular weight of 469.50 g/mol. Its IUPAC name is 2-[[1-[2-(diethylamino)ethoxy]-9H-fluoren-2-yl]oxy]-N,N-diethylethanamine;dihydrochloride.

Molecular Properties

Compound Name2-[[1-[2-(diethylamino)ethoxy]-9H-fluoren-2-yl]oxy]-N,N-diethylethanamine;dihydrochloride
PubChem CID141137663
Molecular FormulaC25H38Cl2N2O2
Molecular Weight469.50 g/mol
Exact Mass468.23
IUPAC Name2-[[1-[2-(diethylamino)ethoxy]-9H-fluoren-2-yl]oxy]-N,N-diethylethanamine;dihydrochloride
SMILESCCN(CC)CCOc1ccc2c(c1OCCN(CC)CC)Cc1ccccc1-2.Cl.Cl
InChIInChI=1S/C25H36N2O2.2ClH/c1-5-26(6-2)15-17-28-24-14-13-22-21-12-10-9-11-20(21)19-23(22)25(24)29-18-16-27(7-3)8-4;;/h9-14H,5-8,15-19H2,1-4H3;2*1H
InChIKeyRIXPNXONBZFQLJ-UHFFFAOYSA-N
XLogP5.54
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.50
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-dibutoxy-9H-fluorene;9H-fluorene
CID 158569964
2-[2,3-bis[2-(diethylamino)ethoxy]phenoxy]-N,N-diethylethanamine;iodoethane
CID 22114543
4-[2-(diethylamino)ethoxy]naphthalen-1-amine
CID 55228090
1-ethoxy-9H-fluoren-2-ol
CID 174692103
2-ethoxy-1-naphthalen-1-yl-9H-fluorene
CID 91339111
2-[[1-[2-amino-2-(benzenesulfonyl)ethoxy]-9H-fluoren-2-yl]oxy]-1-(benzenesulfonyl)ethanamine
CID 141344326
2-[2-[4-(9H-fluoren-1-yl)naphthalen-1-yl]oxyethoxymethyl]oxirane
CID 172716035
N-(2-chloroethyl)-N-ethyl-2-naphthalen-1-yloxyethanamine;hydrochloride
CID 24847300
1-[2-[2-(diethylamino)ethoxy]phenyl]butan-1-one
CID 30287
CID 87935834
CID 87935834
2-(2,6-dimethylphenoxy)-N,N-diethylethanamine;hydrobromide
CID 3052735
[2-[2-(diethylamino)ethoxy]phenyl]boronic acid
CID 43145279

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[2-(diethylamino)ethoxy]-9H-fluoren-2-yl]oxy]-N,N-diethylethanamine;dihydrochloride?
The IUPAC name of 2-[[1-[2-(diethylamino)ethoxy]-9H-fluoren-2-yl]oxy]-N,N-diethylethanamine;dihydrochloride (CID 141137663) is 2-[[1-[2-(diethylamino)ethoxy]-9H-fluoren-2-yl]oxy]-N,N-diethylethanamine;dihydrochloride.
What is the SMILES notation for 2-[[1-[2-(diethylamino)ethoxy]-9H-fluoren-2-yl]oxy]-N,N-diethylethanamine;dihydrochloride?
The canonical SMILES for 2-[[1-[2-(diethylamino)ethoxy]-9H-fluoren-2-yl]oxy]-N,N-diethylethanamine;dihydrochloride is CCN(CC)CCOc1ccc2c(c1OCCN(CC)CC)Cc1ccccc1-2.Cl.Cl.
What is the InChIKey of 2-[[1-[2-(diethylamino)ethoxy]-9H-fluoren-2-yl]oxy]-N,N-diethylethanamine;dihydrochloride?
The InChIKey is RIXPNXONBZFQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O2.2ClH/c1-5-26(6-2)15-17-28-24-14-13-22-21-12-10-9-11-20(21)19-23(22)25(24)29-18-16-27(7-3)8-4;;/h9-14H,5-8,15-19H2,1-4H3;2*1H.
What are the key properties of 2-[[1-[2-(diethylamino)ethoxy]-9H-fluoren-2-yl]oxy]-N,N-diethylethanamine;dihydrochloride?
2-[[1-[2-(diethylamino)ethoxy]-9H-fluoren-2-yl]oxy]-N,N-diethylethanamine;dihydrochloride has a molecular weight of 469.50 g/mol, XLogP of 5.54, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[2-(diethylamino)ethoxy]-9H-fluoren-2-yl]oxy]-N,N-diethylethanamine;dihydrochloride is sourced from PubChem (CID 141137663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).