N-(diethylamino-fluoro-phenylimino-lambda5-phosphanyl)-N-ethylethanamine

C14H25FN3P — CID 13081875

IUPACN-(diethylamino-fluoro-phenylimino-lambda5-phosphanyl)-N-ethylethanamine
SMILESCCN(CC)P(F)(=Nc1ccccc1)N(CC)CC
InChIInChI=1S/C14H25FN3P/c1-5-17(6-2)19(15,18(7-3)8-4)16-14-12-10-9-11-13-14/h9-13H,5-8H2,1-4H3
InChIKeyOABMXKSNGLWWPH-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.92
Rot. Bonds7

About N-(diethylamino-fluoro-phenylimino-lambda5-phosphanyl)-N-ethylethanamine

N-(diethylamino-fluoro-phenylimino-lambda5-phosphanyl)-N-ethylethanamine (PubChem CID 13081875) has the molecular formula C14H25FN3P and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(diethylamino-fluoro-phenylimino-lambda5-phosphanyl)-N-ethylethanamine.

Molecular Properties

Compound NameN-(diethylamino-fluoro-phenylimino-lambda5-phosphanyl)-N-ethylethanamine
PubChem CID13081875
Molecular FormulaC14H25FN3P
Molecular Weight285.35 g/mol
Exact Mass285.18
IUPAC NameN-(diethylamino-fluoro-phenylimino-lambda5-phosphanyl)-N-ethylethanamine
SMILESCCN(CC)P(F)(=Nc1ccccc1)N(CC)CC
InChIInChI=1S/C14H25FN3P/c1-5-17(6-2)19(15,18(7-3)8-4)16-14-12-10-9-11-13-14/h9-13H,5-8H2,1-4H3
InChIKeyOABMXKSNGLWWPH-UHFFFAOYSA-N
XLogP4.92
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(diethylamino-fluoro-phenylimino-lambda5-phosphanyl)-N-ethylethanamine?
The IUPAC name of N-(diethylamino-fluoro-phenylimino-lambda5-phosphanyl)-N-ethylethanamine (CID 13081875) is N-(diethylamino-fluoro-phenylimino-lambda5-phosphanyl)-N-ethylethanamine.
What is the SMILES notation for N-(diethylamino-fluoro-phenylimino-lambda5-phosphanyl)-N-ethylethanamine?
The canonical SMILES for N-(diethylamino-fluoro-phenylimino-lambda5-phosphanyl)-N-ethylethanamine is CCN(CC)P(F)(=Nc1ccccc1)N(CC)CC.
What is the InChIKey of N-(diethylamino-fluoro-phenylimino-lambda5-phosphanyl)-N-ethylethanamine?
The InChIKey is OABMXKSNGLWWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25FN3P/c1-5-17(6-2)19(15,18(7-3)8-4)16-14-12-10-9-11-13-14/h9-13H,5-8H2,1-4H3.
What are the key properties of N-(diethylamino-fluoro-phenylimino-lambda5-phosphanyl)-N-ethylethanamine?
N-(diethylamino-fluoro-phenylimino-lambda5-phosphanyl)-N-ethylethanamine has a molecular weight of 285.35 g/mol, XLogP of 4.92, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diethylamino-fluoro-phenylimino-lambda5-phosphanyl)-N-ethylethanamine is sourced from PubChem (CID 13081875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).