[benzyl(phenoxy)phosphoryl]oxymethanamine

C14H16NO3P — CID 174833549

IUPAC[benzyl(phenoxy)phosphoryl]oxymethanamine
SMILESNCOP(=O)(Cc1ccccc1)Oc1ccccc1
InChIInChI=1S/C14H16NO3P/c15-12-17-19(16,11-13-7-3-1-4-8-13)18-14-9-5-2-6-10-14/h1-10H,11-12,15H2
InChIKeyUSKOFDKSBCFQKY-UHFFFAOYSA-N
MW277.26 g/mol
LogP3.39
Rot. Bonds6

About [benzyl(phenoxy)phosphoryl]oxymethanamine

[benzyl(phenoxy)phosphoryl]oxymethanamine (PubChem CID 174833549) has the molecular formula C14H16NO3P and a molecular weight of 277.26 g/mol. Its IUPAC name is [benzyl(phenoxy)phosphoryl]oxymethanamine.

Molecular Properties

Compound Name[benzyl(phenoxy)phosphoryl]oxymethanamine
PubChem CID174833549
Molecular FormulaC14H16NO3P
Molecular Weight277.26 g/mol
Exact Mass277.09
IUPAC Name[benzyl(phenoxy)phosphoryl]oxymethanamine
SMILESNCOP(=O)(Cc1ccccc1)Oc1ccccc1
InChIInChI=1S/C14H16NO3P/c15-12-17-19(16,11-13-7-3-1-4-8-13)18-14-9-5-2-6-10-14/h1-10H,11-12,15H2
InChIKeyUSKOFDKSBCFQKY-UHFFFAOYSA-N
XLogP3.39
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-[benzyl(ethoxy)phosphoryl]oxy-4-methoxybenzene
CID 137470189
[benzyl(phenoxy)phosphoryl]methylbenzene
CID 23079553
[2-diphenoxyphosphorylethyl(phenoxy)phosphoryl]oxybenzene
CID 14550387
benzyl(phenoxy)phosphinic acid
CID 54071062
1,3-diphenylpropan-2-yl diphenyl phosphate
CID 45103115
triphenyl phosphate;hydrate
CID 66881958
benzyl diphenoxyphosphorylmethyl carbonate
CID 162418615
bis(4-diphenoxyphosphoryloxyphenyl) phenyl phosphate
CID 58066863
5-amino-5-[aminomethoxy(phenoxy)phosphoryl]-4-oxopentanoic acid
CID 174543644
2-methylpropane;triphenyl phosphate
CID 91193965
(1-amino-2-phenylethyl)-phenoxyphosphinic acid
CID 46886351
ethyl (2S)-2-[(4-aminophenyl)methyl-phenoxyphosphoryl]oxypropanoate
CID 59132351

Frequently Asked Questions

What is the IUPAC name of [benzyl(phenoxy)phosphoryl]oxymethanamine?
The IUPAC name of [benzyl(phenoxy)phosphoryl]oxymethanamine (CID 174833549) is [benzyl(phenoxy)phosphoryl]oxymethanamine.
What is the SMILES notation for [benzyl(phenoxy)phosphoryl]oxymethanamine?
The canonical SMILES for [benzyl(phenoxy)phosphoryl]oxymethanamine is NCOP(=O)(Cc1ccccc1)Oc1ccccc1.
What is the InChIKey of [benzyl(phenoxy)phosphoryl]oxymethanamine?
The InChIKey is USKOFDKSBCFQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16NO3P/c15-12-17-19(16,11-13-7-3-1-4-8-13)18-14-9-5-2-6-10-14/h1-10H,11-12,15H2.
What are the key properties of [benzyl(phenoxy)phosphoryl]oxymethanamine?
[benzyl(phenoxy)phosphoryl]oxymethanamine has a molecular weight of 277.26 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [benzyl(phenoxy)phosphoryl]oxymethanamine is sourced from PubChem (CID 174833549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).