N-[ethoxy-[(4-methyl-2-pyridinyl)oxy]phosphoryl]propan-2-amine

C11H19N2O3P — CID 73347423

IUPACN-[ethoxy-[(4-methyl-2-pyridinyl)oxy]phosphoryl]propan-2-amine
SMILESCCOP(=O)(NC(C)C)Oc1cc(C)ccn1
InChIInChI=1S/C11H19N2O3P/c1-5-15-17(14,13-9(2)3)16-11-8-10(4)6-7-12-11/h6-9H,5H2,1-4H3,(H,13,14)
InChIKeyXRNBRNCNYHMBRI-UHFFFAOYSA-N
MW258.26 g/mol
LogP2.91
Rot. Bonds6

About N-[ethoxy-[(4-methyl-2-pyridinyl)oxy]phosphoryl]propan-2-amine

N-[ethoxy-[(4-methyl-2-pyridinyl)oxy]phosphoryl]propan-2-amine (PubChem CID 73347423) has the molecular formula C11H19N2O3P and a molecular weight of 258.26 g/mol. Its IUPAC name is N-[ethoxy-[(4-methyl-2-pyridinyl)oxy]phosphoryl]propan-2-amine.

Molecular Properties

Compound NameN-[ethoxy-[(4-methyl-2-pyridinyl)oxy]phosphoryl]propan-2-amine
PubChem CID73347423
Molecular FormulaC11H19N2O3P
Molecular Weight258.26 g/mol
Exact Mass258.11
IUPAC NameN-[ethoxy-[(4-methyl-2-pyridinyl)oxy]phosphoryl]propan-2-amine
SMILESCCOP(=O)(NC(C)C)Oc1cc(C)ccn1
InChIInChI=1S/C11H19N2O3P/c1-5-15-17(14,13-9(2)3)16-11-8-10(4)6-7-12-11/h6-9H,5H2,1-4H3,(H,13,14)
InChIKeyXRNBRNCNYHMBRI-UHFFFAOYSA-N
XLogP2.91
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[ethoxy-[(4-methyl-2-pyridinyl)oxy]phosphoryl]propan-2-amine?
The IUPAC name of N-[ethoxy-[(4-methyl-2-pyridinyl)oxy]phosphoryl]propan-2-amine (CID 73347423) is N-[ethoxy-[(4-methyl-2-pyridinyl)oxy]phosphoryl]propan-2-amine.
What is the SMILES notation for N-[ethoxy-[(4-methyl-2-pyridinyl)oxy]phosphoryl]propan-2-amine?
The canonical SMILES for N-[ethoxy-[(4-methyl-2-pyridinyl)oxy]phosphoryl]propan-2-amine is CCOP(=O)(NC(C)C)Oc1cc(C)ccn1.
What is the InChIKey of N-[ethoxy-[(4-methyl-2-pyridinyl)oxy]phosphoryl]propan-2-amine?
The InChIKey is XRNBRNCNYHMBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N2O3P/c1-5-15-17(14,13-9(2)3)16-11-8-10(4)6-7-12-11/h6-9H,5H2,1-4H3,(H,13,14).
What are the key properties of N-[ethoxy-[(4-methyl-2-pyridinyl)oxy]phosphoryl]propan-2-amine?
N-[ethoxy-[(4-methyl-2-pyridinyl)oxy]phosphoryl]propan-2-amine has a molecular weight of 258.26 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[ethoxy-[(4-methyl-2-pyridinyl)oxy]phosphoryl]propan-2-amine is sourced from PubChem (CID 73347423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).