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

C23H30N2O3 — CID 57439308

IUPAC2,7-bis[2-(propylamino)ethoxy]fluoren-9-one
SMILESCCCNCCOc1ccc2c(c1)C(=O)c1cc(OCCNCCC)ccc1-2
InChIInChI=1S/C23H30N2O3/c1-3-9-24-11-13-27-17-5-7-19-20-8-6-18(28-14-12-25-10-4-2)16-22(20)23(26)21(19)15-17/h5-8,15-16,24-25H,3-4,9-14H2,1-2H3
InChIKeyBPZDQYAOINQBFU-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.65
Rot. Bonds12

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

2,7-bis[2-(propylamino)ethoxy]fluoren-9-one (PubChem CID 57439308) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 2,7-bis[2-(propylamino)ethoxy]fluoren-9-one.

Molecular Properties

Compound Name2,7-bis[2-(propylamino)ethoxy]fluoren-9-one
PubChem CID57439308
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name2,7-bis[2-(propylamino)ethoxy]fluoren-9-one
SMILESCCCNCCOc1ccc2c(c1)C(=O)c1cc(OCCNCCC)ccc1-2
InChIInChI=1S/C23H30N2O3/c1-3-9-24-11-13-27-17-5-7-19-20-8-6-18(28-14-12-25-10-4-2)16-22(20)23(26)21(19)15-17/h5-8,15-16,24-25H,3-4,9-14H2,1-2H3
InChIKeyBPZDQYAOINQBFU-UHFFFAOYSA-N
XLogP3.65
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,7-bis[2-(propylamino)ethoxy]fluoren-9-one?
The IUPAC name of 2,7-bis[2-(propylamino)ethoxy]fluoren-9-one (CID 57439308) is 2,7-bis[2-(propylamino)ethoxy]fluoren-9-one.
What is the SMILES notation for 2,7-bis[2-(propylamino)ethoxy]fluoren-9-one?
The canonical SMILES for 2,7-bis[2-(propylamino)ethoxy]fluoren-9-one is CCCNCCOc1ccc2c(c1)C(=O)c1cc(OCCNCCC)ccc1-2.
What is the InChIKey of 2,7-bis[2-(propylamino)ethoxy]fluoren-9-one?
The InChIKey is BPZDQYAOINQBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-3-9-24-11-13-27-17-5-7-19-20-8-6-18(28-14-12-25-10-4-2)16-22(20)23(26)21(19)15-17/h5-8,15-16,24-25H,3-4,9-14H2,1-2H3.
What are the key properties of 2,7-bis[2-(propylamino)ethoxy]fluoren-9-one?
2,7-bis[2-(propylamino)ethoxy]fluoren-9-one has a molecular weight of 382.50 g/mol, XLogP of 3.65, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis[2-(propylamino)ethoxy]fluoren-9-one is sourced from PubChem (CID 57439308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).