3-(diethoxyphosphorylmethyl)-N-methylfuran-2-amine

C10H18NO4P — CID 151824038

IUPAC3-(diethoxyphosphorylmethyl)-N-methylfuran-2-amine
SMILESCCOP(=O)(Cc1ccoc1NC)OCC
InChIInChI=1S/C10H18NO4P/c1-4-14-16(12,15-5-2)8-9-6-7-13-10(9)11-3/h6-7,11H,4-5,8H2,1-3H3
InChIKeySDFNXURNFJDRSO-UHFFFAOYSA-N
MW247.23 g/mol
LogP3.09
Rot. Bonds7

About 3-(diethoxyphosphorylmethyl)-N-methylfuran-2-amine

3-(diethoxyphosphorylmethyl)-N-methylfuran-2-amine (PubChem CID 151824038) has the molecular formula C10H18NO4P and a molecular weight of 247.23 g/mol. Its IUPAC name is 3-(diethoxyphosphorylmethyl)-N-methylfuran-2-amine.

Molecular Properties

Compound Name3-(diethoxyphosphorylmethyl)-N-methylfuran-2-amine
PubChem CID151824038
Molecular FormulaC10H18NO4P
Molecular Weight247.23 g/mol
Exact Mass247.10
IUPAC Name3-(diethoxyphosphorylmethyl)-N-methylfuran-2-amine
SMILESCCOP(=O)(Cc1ccoc1NC)OCC
InChIInChI=1S/C10H18NO4P/c1-4-14-16(12,15-5-2)8-9-6-7-13-10(9)11-3/h6-7,11H,4-5,8H2,1-3H3
InChIKeySDFNXURNFJDRSO-UHFFFAOYSA-N
XLogP3.09
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 53.09
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 3-(diethoxyphosphorylmethyl)-N-methylfuran-2-amine?
The IUPAC name of 3-(diethoxyphosphorylmethyl)-N-methylfuran-2-amine (CID 151824038) is 3-(diethoxyphosphorylmethyl)-N-methylfuran-2-amine.
What is the SMILES notation for 3-(diethoxyphosphorylmethyl)-N-methylfuran-2-amine?
The canonical SMILES for 3-(diethoxyphosphorylmethyl)-N-methylfuran-2-amine is CCOP(=O)(Cc1ccoc1NC)OCC.
What is the InChIKey of 3-(diethoxyphosphorylmethyl)-N-methylfuran-2-amine?
The InChIKey is SDFNXURNFJDRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18NO4P/c1-4-14-16(12,15-5-2)8-9-6-7-13-10(9)11-3/h6-7,11H,4-5,8H2,1-3H3.
What are the key properties of 3-(diethoxyphosphorylmethyl)-N-methylfuran-2-amine?
3-(diethoxyphosphorylmethyl)-N-methylfuran-2-amine has a molecular weight of 247.23 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethoxyphosphorylmethyl)-N-methylfuran-2-amine is sourced from PubChem (CID 151824038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).