N-[diethoxyphosphoryl-(4-fluorophenyl)methyl]pyridin-2-amine

C16H20FN2O3P — CID 3851538

IUPACN-[diethoxyphosphoryl-(4-fluorophenyl)methyl]pyridin-2-amine
SMILESCCOP(=O)(OCC)C(Nc1ccccn1)c1ccc(F)cc1
InChIInChI=1S/C16H20FN2O3P/c1-3-21-23(20,22-4-2)16(13-8-10-14(17)11-9-13)19-15-7-5-6-12-18-15/h5-12,16H,3-4H2,1-2H3,(H,18,19)
InChIKeyORDVWOCVTJTWBC-UHFFFAOYSA-N
MW338.32 g/mol
LogP4.60
Rot. Bonds8

About N-[diethoxyphosphoryl-(4-fluorophenyl)methyl]pyridin-2-amine

N-[diethoxyphosphoryl-(4-fluorophenyl)methyl]pyridin-2-amine (PubChem CID 3851538) has the molecular formula C16H20FN2O3P and a molecular weight of 338.32 g/mol. Its IUPAC name is N-[diethoxyphosphoryl-(4-fluorophenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[diethoxyphosphoryl-(4-fluorophenyl)methyl]pyridin-2-amine
PubChem CID3851538
Molecular FormulaC16H20FN2O3P
Molecular Weight338.32 g/mol
Exact Mass338.12
IUPAC NameN-[diethoxyphosphoryl-(4-fluorophenyl)methyl]pyridin-2-amine
SMILESCCOP(=O)(OCC)C(Nc1ccccn1)c1ccc(F)cc1
InChIInChI=1S/C16H20FN2O3P/c1-3-21-23(20,22-4-2)16(13-8-10-14(17)11-9-13)19-15-7-5-6-12-18-15/h5-12,16H,3-4H2,1-2H3,(H,18,19)
InChIKeyORDVWOCVTJTWBC-UHFFFAOYSA-N
XLogP4.60
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[diethoxyphosphoryl-(4-fluorophenyl)methyl]pyridin-2-amine?
The IUPAC name of N-[diethoxyphosphoryl-(4-fluorophenyl)methyl]pyridin-2-amine (CID 3851538) is N-[diethoxyphosphoryl-(4-fluorophenyl)methyl]pyridin-2-amine.
What is the SMILES notation for N-[diethoxyphosphoryl-(4-fluorophenyl)methyl]pyridin-2-amine?
The canonical SMILES for N-[diethoxyphosphoryl-(4-fluorophenyl)methyl]pyridin-2-amine is CCOP(=O)(OCC)C(Nc1ccccn1)c1ccc(F)cc1.
What is the InChIKey of N-[diethoxyphosphoryl-(4-fluorophenyl)methyl]pyridin-2-amine?
The InChIKey is ORDVWOCVTJTWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN2O3P/c1-3-21-23(20,22-4-2)16(13-8-10-14(17)11-9-13)19-15-7-5-6-12-18-15/h5-12,16H,3-4H2,1-2H3,(H,18,19).
What are the key properties of N-[diethoxyphosphoryl-(4-fluorophenyl)methyl]pyridin-2-amine?
N-[diethoxyphosphoryl-(4-fluorophenyl)methyl]pyridin-2-amine has a molecular weight of 338.32 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[diethoxyphosphoryl-(4-fluorophenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 3851538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).