1-amino-2,5-bis[2-(diethylamino)ethoxy]-4-propoxyfluoren-9-one

C28H41N3O4 — CID 19594651

IUPAC1-amino-2,5-bis[2-(diethylamino)ethoxy]-4-propoxyfluoren-9-one
SMILESCCCOc1cc(OCCN(CC)CC)c(N)c2c1-c1c(OCCN(CC)CC)cccc1C2=O
InChIInChI=1S/C28H41N3O4/c1-6-16-33-22-19-23(35-18-15-31(9-4)10-5)27(29)26-25(22)24-20(28(26)32)12-11-13-21(24)34-17-14-30(7-2)8-3/h11-13,19H,6-10,14-18,29H2,1-5H3
InChIKeySYJVEFCOYOYPNK-UHFFFAOYSA-N
MW483.65 g/mol
LogP4.71
Rot. Bonds15

About 1-amino-2,5-bis[2-(diethylamino)ethoxy]-4-propoxyfluoren-9-one

1-amino-2,5-bis[2-(diethylamino)ethoxy]-4-propoxyfluoren-9-one (PubChem CID 19594651) has the molecular formula C28H41N3O4 and a molecular weight of 483.65 g/mol. Its IUPAC name is 1-amino-2,5-bis[2-(diethylamino)ethoxy]-4-propoxyfluoren-9-one.

Molecular Properties

Compound Name1-amino-2,5-bis[2-(diethylamino)ethoxy]-4-propoxyfluoren-9-one
PubChem CID19594651
Molecular FormulaC28H41N3O4
Molecular Weight483.65 g/mol
Exact Mass483.31
IUPAC Name1-amino-2,5-bis[2-(diethylamino)ethoxy]-4-propoxyfluoren-9-one
SMILESCCCOc1cc(OCCN(CC)CC)c(N)c2c1-c1c(OCCN(CC)CC)cccc1C2=O
InChIInChI=1S/C28H41N3O4/c1-6-16-33-22-19-23(35-18-15-31(9-4)10-5)27(29)26-25(22)24-20(28(26)32)12-11-13-21(24)34-17-14-30(7-2)8-3/h11-13,19H,6-10,14-18,29H2,1-5H3
InChIKeySYJVEFCOYOYPNK-UHFFFAOYSA-N
XLogP4.71
TPSA77.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.65
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1,5-bis[2-(diethylamino)ethoxy]-4-propoxyfluoren-9-one
CID 19594796
5-[2-(diethylamino)ethoxy]-4-methoxy-1-nitro-2-propoxyfluoren-9-one
CID 19594819
1-amino-4-butoxy-2,5-bis(2-pyrrolidin-1-ylethoxy)fluoren-9-one
CID 70191902
4-butoxy-5-[2-(diethylamino)ethoxy]-2-ethoxyfluoren-9-one
CID 19594662
1,5-bis[3-(diethylamino)propoxy]-4-ethoxyfluoren-9-one
CID 19594830
1-amino-4-butoxy-2,5-bis(2-pyrrolidin-2-ylethoxy)fluoren-9-one
CID 19594671
3,5-bis[2-(diethylamino)ethoxy]fluoren-9-one
CID 19594761
4-butoxy-2,5-bis[3-(diethylamino)propoxy]fluoren-9-one
CID 19594888
1-amino-4-methoxy-2,5-bis(2-piperidin-1-ylethoxy)fluoren-9-one
CID 70191890
2-amino-3-[2-(diethylamino)ethoxy]benzenesulfonamide
CID 112675117
3,5-bis[4-(diethylamino)butoxy]fluoren-9-one
CID 19594755
1,5-di(pentadecoxy)anthracene-9,10-dione
CID 132915778

Frequently Asked Questions

What is the IUPAC name of 1-amino-2,5-bis[2-(diethylamino)ethoxy]-4-propoxyfluoren-9-one?
The IUPAC name of 1-amino-2,5-bis[2-(diethylamino)ethoxy]-4-propoxyfluoren-9-one (CID 19594651) is 1-amino-2,5-bis[2-(diethylamino)ethoxy]-4-propoxyfluoren-9-one.
What is the SMILES notation for 1-amino-2,5-bis[2-(diethylamino)ethoxy]-4-propoxyfluoren-9-one?
The canonical SMILES for 1-amino-2,5-bis[2-(diethylamino)ethoxy]-4-propoxyfluoren-9-one is CCCOc1cc(OCCN(CC)CC)c(N)c2c1-c1c(OCCN(CC)CC)cccc1C2=O.
What is the InChIKey of 1-amino-2,5-bis[2-(diethylamino)ethoxy]-4-propoxyfluoren-9-one?
The InChIKey is SYJVEFCOYOYPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41N3O4/c1-6-16-33-22-19-23(35-18-15-31(9-4)10-5)27(29)26-25(22)24-20(28(26)32)12-11-13-21(24)34-17-14-30(7-2)8-3/h11-13,19H,6-10,14-18,29H2,1-5H3.
What are the key properties of 1-amino-2,5-bis[2-(diethylamino)ethoxy]-4-propoxyfluoren-9-one?
1-amino-2,5-bis[2-(diethylamino)ethoxy]-4-propoxyfluoren-9-one has a molecular weight of 483.65 g/mol, XLogP of 4.71, 15 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2,5-bis[2-(diethylamino)ethoxy]-4-propoxyfluoren-9-one is sourced from PubChem (CID 19594651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).