N-[(2-fluorophenoxy)-methylphosphoryl]-4-methylaniline

C14H15FNO2P — CID 2313149

IUPACN-[(2-fluorophenoxy)-methylphosphoryl]-4-methylaniline
SMILESCc1ccc(NP(C)(=O)Oc2ccccc2F)cc1
InChIInChI=1S/C14H15FNO2P/c1-11-7-9-12(10-8-11)16-19(2,17)18-14-6-4-3-5-13(14)15/h3-10H,1-2H3,(H,16,17)
InChIKeyBUFLMTMYKNEVRD-UHFFFAOYSA-N
MW279.25 g/mol
LogP4.45
Rot. Bonds4

About N-[(2-fluorophenoxy)-methylphosphoryl]-4-methylaniline

N-[(2-fluorophenoxy)-methylphosphoryl]-4-methylaniline (PubChem CID 2313149) has the molecular formula C14H15FNO2P and a molecular weight of 279.25 g/mol. Its IUPAC name is N-[(2-fluorophenoxy)-methylphosphoryl]-4-methylaniline.

Molecular Properties

Compound NameN-[(2-fluorophenoxy)-methylphosphoryl]-4-methylaniline
PubChem CID2313149
Molecular FormulaC14H15FNO2P
Molecular Weight279.25 g/mol
Exact Mass279.08
IUPAC NameN-[(2-fluorophenoxy)-methylphosphoryl]-4-methylaniline
SMILESCc1ccc(NP(C)(=O)Oc2ccccc2F)cc1
InChIInChI=1S/C14H15FNO2P/c1-11-7-9-12(10-8-11)16-19(2,17)18-14-6-4-3-5-13(14)15/h3-10H,1-2H3,(H,16,17)
InChIKeyBUFLMTMYKNEVRD-UHFFFAOYSA-N
XLogP4.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-bis(2-fluorophenoxy)phosphoryl-2,4,6-trimethylaniline
CID 2067423
1-diethylphosphoryloxy-2-fluorobenzene
CID 66797040
N-bis(2-fluorophenoxy)phosphoryl-3-methoxyaniline
CID 2313179
4-bromo-N-[methyl(phenoxy)phosphoryl]aniline
CID 11864281
1-fluoro-2-[fluoro(1,1,2,2-tetrafluoropropoxy)phosphoryl]oxybenzene
CID 87247575
1-difluorophosphoryloxy-2-fluoro-4-methylbenzene
CID 87221961
2-(2-fluorophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide
CID 7787134
1-fluoro-2-[fluoro(2,2,2-trifluoroethoxy)phosphoryl]oxybenzene
CID 87247572
methyl 2-(2-fluorophenyl)-2-(4-methylanilino)propanoate
CID 60991205
2-fluoro-N-[4-(4-methylphenoxy)phenyl]benzamide
CID 759350
2-(2-fluorophenoxy)ethyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8729750
2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-(4-methylphenyl)acetamide
CID 8729751

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenoxy)-methylphosphoryl]-4-methylaniline?
The IUPAC name of N-[(2-fluorophenoxy)-methylphosphoryl]-4-methylaniline (CID 2313149) is N-[(2-fluorophenoxy)-methylphosphoryl]-4-methylaniline.
What is the SMILES notation for N-[(2-fluorophenoxy)-methylphosphoryl]-4-methylaniline?
The canonical SMILES for N-[(2-fluorophenoxy)-methylphosphoryl]-4-methylaniline is Cc1ccc(NP(C)(=O)Oc2ccccc2F)cc1.
What is the InChIKey of N-[(2-fluorophenoxy)-methylphosphoryl]-4-methylaniline?
The InChIKey is BUFLMTMYKNEVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FNO2P/c1-11-7-9-12(10-8-11)16-19(2,17)18-14-6-4-3-5-13(14)15/h3-10H,1-2H3,(H,16,17).
What are the key properties of N-[(2-fluorophenoxy)-methylphosphoryl]-4-methylaniline?
N-[(2-fluorophenoxy)-methylphosphoryl]-4-methylaniline has a molecular weight of 279.25 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenoxy)-methylphosphoryl]-4-methylaniline is sourced from PubChem (CID 2313149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).