3-fluoro-N-[(4-methoxyphenoxy)-methylphosphoryl]aniline

C14H15FNO3P — CID 2327256

IUPAC3-fluoro-N-[(4-methoxyphenoxy)-methylphosphoryl]aniline
SMILESCOc1ccc(OP(C)(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C14H15FNO3P/c1-18-13-6-8-14(9-7-13)19-20(2,17)16-12-5-3-4-11(15)10-12/h3-10H,1-2H3,(H,16,17)
InChIKeyPGUVFUHAFPFVHA-UHFFFAOYSA-N
MW295.25 g/mol
LogP4.15
Rot. Bonds5

About 3-fluoro-N-[(4-methoxyphenoxy)-methylphosphoryl]aniline

3-fluoro-N-[(4-methoxyphenoxy)-methylphosphoryl]aniline (PubChem CID 2327256) has the molecular formula C14H15FNO3P and a molecular weight of 295.25 g/mol. Its IUPAC name is 3-fluoro-N-[(4-methoxyphenoxy)-methylphosphoryl]aniline.

Molecular Properties

Compound Name3-fluoro-N-[(4-methoxyphenoxy)-methylphosphoryl]aniline
PubChem CID2327256
Molecular FormulaC14H15FNO3P
Molecular Weight295.25 g/mol
Exact Mass295.08
IUPAC Name3-fluoro-N-[(4-methoxyphenoxy)-methylphosphoryl]aniline
SMILESCOc1ccc(OP(C)(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C14H15FNO3P/c1-18-13-6-8-14(9-7-13)19-20(2,17)16-12-5-3-4-11(15)10-12/h3-10H,1-2H3,(H,16,17)
InChIKeyPGUVFUHAFPFVHA-UHFFFAOYSA-N
XLogP4.15
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.25
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-Methoxyphenoxy)aniline
CID 101402
Methylphosphonoamidate, o-(2-methoxyphenyl)-N-phenyl-
CID 624025
4-(4-Ethoxyphenoxy)aniline
CID 2433155
1-Fluoro-4-{[methyl(phenylamino)phosphoryl]oxy}benzene
CID 752278
N-diphenoxyphosphoryl-3-methoxyaniline
CID 2305383
N-(4-fluorophenyl)-3,4-dihydro-2H-1,5,3-benzodioxaphosphepin-3-amine 3-oxide
CID 666967
4-methoxy-N-[(4-methoxyanilino)-phenoxyphosphoryl]aniline
CID 2305211
4-bromo-N-[(4-methoxyphenoxy)-methylphosphoryl]aniline
CID 2306483
2-fluoro-N-[methyl(phenoxy)phosphoryl]aniline
CID 2313145
4-methoxy-N-[(2-methoxyphenoxy)-methylphosphoryl]aniline
CID 813791
3-bromo-N-[(4-methoxyphenoxy)-methylphosphoryl]aniline
CID 1005223
N-[(4-methoxyphenoxy)-methylphosphoryl]-4-(trifluoromethylsulfanyl)aniline
CID 3959454

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(4-methoxyphenoxy)-methylphosphoryl]aniline?
The IUPAC name of 3-fluoro-N-[(4-methoxyphenoxy)-methylphosphoryl]aniline (CID 2327256) is 3-fluoro-N-[(4-methoxyphenoxy)-methylphosphoryl]aniline.
What is the SMILES notation for 3-fluoro-N-[(4-methoxyphenoxy)-methylphosphoryl]aniline?
The canonical SMILES for 3-fluoro-N-[(4-methoxyphenoxy)-methylphosphoryl]aniline is COc1ccc(OP(C)(=O)Nc2cccc(F)c2)cc1.
What is the InChIKey of 3-fluoro-N-[(4-methoxyphenoxy)-methylphosphoryl]aniline?
The InChIKey is PGUVFUHAFPFVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FNO3P/c1-18-13-6-8-14(9-7-13)19-20(2,17)16-12-5-3-4-11(15)10-12/h3-10H,1-2H3,(H,16,17).
What are the key properties of 3-fluoro-N-[(4-methoxyphenoxy)-methylphosphoryl]aniline?
3-fluoro-N-[(4-methoxyphenoxy)-methylphosphoryl]aniline has a molecular weight of 295.25 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(4-methoxyphenoxy)-methylphosphoryl]aniline is sourced from PubChem (CID 2327256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).