3-(5-diethoxyphosphorylfuran-2-yl)aniline

C14H18NO4P — CID 22349231

IUPAC3-(5-diethoxyphosphorylfuran-2-yl)aniline
SMILESCCOP(=O)(OCC)c1ccc(-c2cccc(N)c2)o1
InChIInChI=1S/C14H18NO4P/c1-3-17-20(16,18-4-2)14-9-8-13(19-14)11-6-5-7-12(15)10-11/h5-10H,3-4,15H2,1-2H3
InChIKeyAFUXARXLUWVDLV-UHFFFAOYSA-N
MW295.28 g/mol
LogP3.42
Rot. Bonds6

About 3-(5-diethoxyphosphorylfuran-2-yl)aniline

3-(5-diethoxyphosphorylfuran-2-yl)aniline (PubChem CID 22349231) has the molecular formula C14H18NO4P and a molecular weight of 295.28 g/mol. Its IUPAC name is 3-(5-diethoxyphosphorylfuran-2-yl)aniline.

Molecular Properties

Compound Name3-(5-diethoxyphosphorylfuran-2-yl)aniline
PubChem CID22349231
Molecular FormulaC14H18NO4P
Molecular Weight295.28 g/mol
Exact Mass295.10
IUPAC Name3-(5-diethoxyphosphorylfuran-2-yl)aniline
SMILESCCOP(=O)(OCC)c1ccc(-c2cccc(N)c2)o1
InChIInChI=1S/C14H18NO4P/c1-3-17-20(16,18-4-2)14-9-8-13(19-14)11-6-5-7-12(15)10-11/h5-10H,3-4,15H2,1-2H3
InChIKeyAFUXARXLUWVDLV-UHFFFAOYSA-N
XLogP3.42
TPSA74.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[3-amino-5-(5-diethoxyphosphorylfuran-2-yl)phenoxy]-1-trimethylsilylpropan-1-one
CID 22349229
4-(5-diethoxyphosphorylfuran-2-yl)-5-iodo-1,3-thiazol-2-amine
CID 50993144
2-diethoxyphosphoryl-5-iodofuran
CID 22280644
1-[5-(3-aminophenyl)furan-2-yl]ethanone
CID 165461195
(3-aminophenyl) diethyl phosphate
CID 86127632
1-diethoxyphosphoryl-4-phenylbenzene
CID 12670613
3-diethoxyphosphoryl-4-methylaniline
CID 166610077
1-(5-diethoxyphosphorylfuran-2-yl)propane-1-thione
CID 54386851
5-(3-aminophenyl)-N-ethyl-N-phenylfuran-2-carboxamide
CID 91679621
3-(5-ethoxy-1,2-oxazol-3-yl)aniline
CID 154683118
3-(2-propyl-1,3-oxazol-5-yl)aniline
CID 154683063
4-(4-amino-3-methylphenyl)-2-methylaniline;3-(3-aminophenyl)aniline;ethoxyethane
CID 67899079

Frequently Asked Questions

What is the IUPAC name of 3-(5-diethoxyphosphorylfuran-2-yl)aniline?
The IUPAC name of 3-(5-diethoxyphosphorylfuran-2-yl)aniline (CID 22349231) is 3-(5-diethoxyphosphorylfuran-2-yl)aniline.
What is the SMILES notation for 3-(5-diethoxyphosphorylfuran-2-yl)aniline?
The canonical SMILES for 3-(5-diethoxyphosphorylfuran-2-yl)aniline is CCOP(=O)(OCC)c1ccc(-c2cccc(N)c2)o1.
What is the InChIKey of 3-(5-diethoxyphosphorylfuran-2-yl)aniline?
The InChIKey is AFUXARXLUWVDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18NO4P/c1-3-17-20(16,18-4-2)14-9-8-13(19-14)11-6-5-7-12(15)10-11/h5-10H,3-4,15H2,1-2H3.
What are the key properties of 3-(5-diethoxyphosphorylfuran-2-yl)aniline?
3-(5-diethoxyphosphorylfuran-2-yl)aniline has a molecular weight of 295.28 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-diethoxyphosphorylfuran-2-yl)aniline is sourced from PubChem (CID 22349231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).