2-(diethylamino)ethyl 9-hydroxy-9H-fluorene-4-carboxylate;hydrochloride

C20H24ClNO3 — CID 16681772

IUPAC2-(diethylamino)ethyl 9-hydroxy-9H-fluorene-4-carboxylate;hydrochloride
SMILESCCN(CC)CCOC(=O)c1cccc2c1-c1ccccc1C2O.Cl
InChIInChI=1S/C20H23NO3.ClH/c1-3-21(4-2)12-13-24-20(23)17-11-7-10-16-18(17)14-8-5-6-9-15(14)19(16)22;/h5-11,19,22H,3-4,12-13H2,1-2H3;1H
InChIKeyGKBYSSYFNIXBDF-UHFFFAOYSA-N
MW361.87 g/mol
LogP3.67
Rot. Bonds6

About 2-(diethylamino)ethyl 9-hydroxy-9H-fluorene-4-carboxylate;hydrochloride

2-(diethylamino)ethyl 9-hydroxy-9H-fluorene-4-carboxylate;hydrochloride (PubChem CID 16681772) has the molecular formula C20H24ClNO3 and a molecular weight of 361.87 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 9-hydroxy-9H-fluorene-4-carboxylate;hydrochloride.

Molecular Properties

Compound Name2-(diethylamino)ethyl 9-hydroxy-9H-fluorene-4-carboxylate;hydrochloride
PubChem CID16681772
Molecular FormulaC20H24ClNO3
Molecular Weight361.87 g/mol
Exact Mass361.14
IUPAC Name2-(diethylamino)ethyl 9-hydroxy-9H-fluorene-4-carboxylate;hydrochloride
SMILESCCN(CC)CCOC(=O)c1cccc2c1-c1ccccc1C2O.Cl
InChIInChI=1S/C20H23NO3.ClH/c1-3-21(4-2)12-13-24-20(23)17-11-7-10-16-18(17)14-8-5-6-9-15(14)19(16)22;/h5-11,19,22H,3-4,12-13H2,1-2H3;1H
InChIKeyGKBYSSYFNIXBDF-UHFFFAOYSA-N
XLogP3.67
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 9-hydroxy-9H-fluorene-4-carboxylate;hydrochloride?
The IUPAC name of 2-(diethylamino)ethyl 9-hydroxy-9H-fluorene-4-carboxylate;hydrochloride (CID 16681772) is 2-(diethylamino)ethyl 9-hydroxy-9H-fluorene-4-carboxylate;hydrochloride.
What is the SMILES notation for 2-(diethylamino)ethyl 9-hydroxy-9H-fluorene-4-carboxylate;hydrochloride?
The canonical SMILES for 2-(diethylamino)ethyl 9-hydroxy-9H-fluorene-4-carboxylate;hydrochloride is CCN(CC)CCOC(=O)c1cccc2c1-c1ccccc1C2O.Cl.
What is the InChIKey of 2-(diethylamino)ethyl 9-hydroxy-9H-fluorene-4-carboxylate;hydrochloride?
The InChIKey is GKBYSSYFNIXBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3.ClH/c1-3-21(4-2)12-13-24-20(23)17-11-7-10-16-18(17)14-8-5-6-9-15(14)19(16)22;/h5-11,19,22H,3-4,12-13H2,1-2H3;1H.
What are the key properties of 2-(diethylamino)ethyl 9-hydroxy-9H-fluorene-4-carboxylate;hydrochloride?
2-(diethylamino)ethyl 9-hydroxy-9H-fluorene-4-carboxylate;hydrochloride has a molecular weight of 361.87 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 9-hydroxy-9H-fluorene-4-carboxylate;hydrochloride is sourced from PubChem (CID 16681772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).