(1-amino-2-phenylethyl)-phenoxyphosphinic acid

C14H16NO3P — CID 46886351

IUPAC(1-amino-2-phenylethyl)-phenoxyphosphinic acid
SMILESNC(Cc1ccccc1)P(=O)(O)Oc1ccccc1
InChIInChI=1S/C14H16NO3P/c15-14(11-12-7-3-1-4-8-12)19(16,17)18-13-9-5-2-6-10-13/h1-10,14H,11,15H2,(H,16,17)
InChIKeyNIIZBBOAIXODAC-UHFFFAOYSA-N
MW277.26 g/mol
LogP2.78
Rot. Bonds5

About (1-amino-2-phenylethyl)-phenoxyphosphinic acid

(1-amino-2-phenylethyl)-phenoxyphosphinic acid (PubChem CID 46886351) has the molecular formula C14H16NO3P and a molecular weight of 277.26 g/mol. Its IUPAC name is (1-amino-2-phenylethyl)-phenoxyphosphinic acid.

Molecular Properties

Compound Name(1-amino-2-phenylethyl)-phenoxyphosphinic acid
PubChem CID46886351
Molecular FormulaC14H16NO3P
Molecular Weight277.26 g/mol
Exact Mass277.09
IUPAC Name(1-amino-2-phenylethyl)-phenoxyphosphinic acid
SMILESNC(Cc1ccccc1)P(=O)(O)Oc1ccccc1
InChIInChI=1S/C14H16NO3P/c15-14(11-12-7-3-1-4-8-12)19(16,17)18-13-9-5-2-6-10-13/h1-10,14H,11,15H2,(H,16,17)
InChIKeyNIIZBBOAIXODAC-UHFFFAOYSA-N
XLogP2.78
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1-amino-3-phenylpropyl)-(4-tert-butylphenoxy)phosphinic acid
CID 46886386
1-dimethoxyphosphoryl-2-phenylethanamine
CID 12504647
benzyl(phenoxy)phosphinic acid
CID 54071062
(2R)-1-phenylpropan-2-amine;phosphoric acid
CID 76961595
1,3-diphenylpropan-2-yl diphenyl phosphate
CID 45103115
(2S)-2-amino-3-phenylpropanoic acid;phosphoric acid
CID 69256831
[(2S)-2-amino-3-phenylpropanoyl]oxyphosphonamidic acid;[(2R)-2-amino-3-phenylpropanoyl]oxyphosphonamidic acid
CID 175759924
methyl (2S)-2-amino-3-phenylpropanoate;phosphoric acid
CID 67831434
diphenyl hydrogen phosphate;dihydrate
CID 21115845
CID 131875092
CID 131875092
tris(diphenyl hydrogen phosphate);phosphane
CID 172751224
diphenyl hydrogen phosphate;silane
CID 175425543

Frequently Asked Questions

What is the IUPAC name of (1-amino-2-phenylethyl)-phenoxyphosphinic acid?
The IUPAC name of (1-amino-2-phenylethyl)-phenoxyphosphinic acid (CID 46886351) is (1-amino-2-phenylethyl)-phenoxyphosphinic acid.
What is the SMILES notation for (1-amino-2-phenylethyl)-phenoxyphosphinic acid?
The canonical SMILES for (1-amino-2-phenylethyl)-phenoxyphosphinic acid is NC(Cc1ccccc1)P(=O)(O)Oc1ccccc1.
What is the InChIKey of (1-amino-2-phenylethyl)-phenoxyphosphinic acid?
The InChIKey is NIIZBBOAIXODAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16NO3P/c15-14(11-12-7-3-1-4-8-12)19(16,17)18-13-9-5-2-6-10-13/h1-10,14H,11,15H2,(H,16,17).
What are the key properties of (1-amino-2-phenylethyl)-phenoxyphosphinic acid?
(1-amino-2-phenylethyl)-phenoxyphosphinic acid has a molecular weight of 277.26 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-2-phenylethyl)-phenoxyphosphinic acid is sourced from PubChem (CID 46886351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).