N-[diethylamino(9H-fluoren-9-yl)phosphoryl]-N-ethylethanamine

C21H29N2OP — CID 11760072

IUPACN-[diethylamino(9H-fluoren-9-yl)phosphoryl]-N-ethylethanamine
SMILESCCN(CC)P(=O)(C1c2ccccc2-c2ccccc21)N(CC)CC
InChIInChI=1S/C21H29N2OP/c1-5-22(6-2)25(24,23(7-3)8-4)21-19-15-11-9-13-17(19)18-14-10-12-16-20(18)21/h9-16,21H,5-8H2,1-4H3
InChIKeySKQMSMNSMKKGPJ-UHFFFAOYSA-N
MW356.45 g/mol
LogP5.63
Rot. Bonds7

About N-[diethylamino(9H-fluoren-9-yl)phosphoryl]-N-ethylethanamine

N-[diethylamino(9H-fluoren-9-yl)phosphoryl]-N-ethylethanamine (PubChem CID 11760072) has the molecular formula C21H29N2OP and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[diethylamino(9H-fluoren-9-yl)phosphoryl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[diethylamino(9H-fluoren-9-yl)phosphoryl]-N-ethylethanamine
PubChem CID11760072
Molecular FormulaC21H29N2OP
Molecular Weight356.45 g/mol
Exact Mass356.20
IUPAC NameN-[diethylamino(9H-fluoren-9-yl)phosphoryl]-N-ethylethanamine
SMILESCCN(CC)P(=O)(C1c2ccccc2-c2ccccc21)N(CC)CC
InChIInChI=1S/C21H29N2OP/c1-5-22(6-2)25(24,23(7-3)8-4)21-19-15-11-9-13-17(19)18-14-10-12-16-20(18)21/h9-16,21H,5-8H2,1-4H3
InChIKeySKQMSMNSMKKGPJ-UHFFFAOYSA-N
XLogP5.63
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.45
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[diethylamino(9H-fluoren-9-yl)phosphoryl]-N-ethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[diethylamino(9H-fluoren-9-yl)phosphoryl]-N-ethylethanamine?
The IUPAC name of N-[diethylamino(9H-fluoren-9-yl)phosphoryl]-N-ethylethanamine (CID 11760072) is N-[diethylamino(9H-fluoren-9-yl)phosphoryl]-N-ethylethanamine.
What is the SMILES notation for N-[diethylamino(9H-fluoren-9-yl)phosphoryl]-N-ethylethanamine?
The canonical SMILES for N-[diethylamino(9H-fluoren-9-yl)phosphoryl]-N-ethylethanamine is CCN(CC)P(=O)(C1c2ccccc2-c2ccccc21)N(CC)CC.
What is the InChIKey of N-[diethylamino(9H-fluoren-9-yl)phosphoryl]-N-ethylethanamine?
The InChIKey is SKQMSMNSMKKGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N2OP/c1-5-22(6-2)25(24,23(7-3)8-4)21-19-15-11-9-13-17(19)18-14-10-12-16-20(18)21/h9-16,21H,5-8H2,1-4H3.
What are the key properties of N-[diethylamino(9H-fluoren-9-yl)phosphoryl]-N-ethylethanamine?
N-[diethylamino(9H-fluoren-9-yl)phosphoryl]-N-ethylethanamine has a molecular weight of 356.45 g/mol, XLogP of 5.63, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[diethylamino(9H-fluoren-9-yl)phosphoryl]-N-ethylethanamine is sourced from PubChem (CID 11760072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).