2-diethoxyphosphoryl-1-(furan-2-yl)ethanamine

C10H18NO4P — CID 72796397

IUPAC2-diethoxyphosphoryl-1-(furan-2-yl)ethanamine
SMILESCCOP(=O)(CC(N)c1ccco1)OCC
InChIInChI=1S/C10H18NO4P/c1-3-14-16(12,15-4-2)8-9(11)10-6-5-7-13-10/h5-7,9H,3-4,8,11H2,1-2H3
InChIKeyITSNRGZCLHWLKB-UHFFFAOYSA-N
MW247.23 g/mol
LogP2.55
Rot. Bonds7

About 2-diethoxyphosphoryl-1-(furan-2-yl)ethanamine

2-diethoxyphosphoryl-1-(furan-2-yl)ethanamine (PubChem CID 72796397) has the molecular formula C10H18NO4P and a molecular weight of 247.23 g/mol. Its IUPAC name is 2-diethoxyphosphoryl-1-(furan-2-yl)ethanamine.

Molecular Properties

Compound Name2-diethoxyphosphoryl-1-(furan-2-yl)ethanamine
PubChem CID72796397
Molecular FormulaC10H18NO4P
Molecular Weight247.23 g/mol
Exact Mass247.10
IUPAC Name2-diethoxyphosphoryl-1-(furan-2-yl)ethanamine
SMILESCCOP(=O)(CC(N)c1ccco1)OCC
InChIInChI=1S/C10H18NO4P/c1-3-14-16(12,15-4-2)8-9(11)10-6-5-7-13-10/h5-7,9H,3-4,8,11H2,1-2H3
InChIKeyITSNRGZCLHWLKB-UHFFFAOYSA-N
XLogP2.55
TPSA74.69 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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1S)-2-diethoxyphosphoryl-1-(furan-2-yl)ethanol
CID 11299626
(1S)-1-(furan-2-yl)propan-1-amine;hydrochloride
CID 11615221
2-diethoxyphosphoryl-1-(4-fluorophenyl)ethanamine
CID 12749368
2-[diethoxyphosphoryl(ethoxy)methyl]furan
CID 71381055
1-(furan-2-yl)butan-1-amine;hydrochloride
CID 86262899
diethyl 2-[diethoxyphosphoryl(furan-2-yl)methyl]propanedioate;hydrate
CID 52997745
2-[[ethoxy(phenoxy)phosphoryl]methyl]furan
CID 137470187
2-diethoxyphosphoryl-1-(4-nitrophenyl)ethanamine
CID 72780939
1-(furan-2-yl)-4-methoxybutan-1-amine
CID 62716134
2-(4-ethoxyphenyl)-1-(furan-2-yl)ethanamine
CID 22299339
3-amino-3-(furan-2-yl)-N,N-dimethylpropanamide
CID 82075111
2-amino-2-(furan-2-yl)ethanol
CID 54048773

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphoryl-1-(furan-2-yl)ethanamine?
The IUPAC name of 2-diethoxyphosphoryl-1-(furan-2-yl)ethanamine (CID 72796397) is 2-diethoxyphosphoryl-1-(furan-2-yl)ethanamine.
What is the SMILES notation for 2-diethoxyphosphoryl-1-(furan-2-yl)ethanamine?
The canonical SMILES for 2-diethoxyphosphoryl-1-(furan-2-yl)ethanamine is CCOP(=O)(CC(N)c1ccco1)OCC.
What is the InChIKey of 2-diethoxyphosphoryl-1-(furan-2-yl)ethanamine?
The InChIKey is ITSNRGZCLHWLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18NO4P/c1-3-14-16(12,15-4-2)8-9(11)10-6-5-7-13-10/h5-7,9H,3-4,8,11H2,1-2H3.
What are the key properties of 2-diethoxyphosphoryl-1-(furan-2-yl)ethanamine?
2-diethoxyphosphoryl-1-(furan-2-yl)ethanamine has a molecular weight of 247.23 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphoryl-1-(furan-2-yl)ethanamine is sourced from PubChem (CID 72796397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).