(2-aminophenyl)methyl-phenylphosphinic acid

C13H14NO2P — CID 13270423

IUPAC(2-aminophenyl)methyl-phenylphosphinic acid
SMILESNc1ccccc1CP(=O)(O)c1ccccc1
InChIInChI=1S/C13H14NO2P/c14-13-9-5-4-6-11(13)10-17(15,16)12-7-2-1-3-8-12/h1-9H,10,14H2,(H,15,16)
InChIKeyVPCROOYVHIVMHC-UHFFFAOYSA-N
MW247.23 g/mol
LogP2.36
Rot. Bonds3

About (2-aminophenyl)methyl-phenylphosphinic acid

(2-aminophenyl)methyl-phenylphosphinic acid (PubChem CID 13270423) has the molecular formula C13H14NO2P and a molecular weight of 247.23 g/mol. Its IUPAC name is (2-aminophenyl)methyl-phenylphosphinic acid.

Molecular Properties

Compound Name(2-aminophenyl)methyl-phenylphosphinic acid
PubChem CID13270423
Molecular FormulaC13H14NO2P
Molecular Weight247.23 g/mol
Exact Mass247.08
IUPAC Name(2-aminophenyl)methyl-phenylphosphinic acid
SMILESNc1ccccc1CP(=O)(O)c1ccccc1
InChIInChI=1S/C13H14NO2P/c14-13-9-5-4-6-11(13)10-17(15,16)12-7-2-1-3-8-12/h1-9H,10,14H2,(H,15,16)
InChIKeyVPCROOYVHIVMHC-UHFFFAOYSA-N
XLogP2.36
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2-aminophenyl)methyl-phenylphosphinic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,3-diaminophenyl)-phenylphosphinic acid
CID 150816476
[3-[[hydroxy(phenyl)phosphoryl]methyl]phenyl]methyl-phenylphosphinic acid
CID 11773578
diphenylphosphinic acid chloride
CID 53401992
2-(hydrazinylmethyl)aniline
CID 126609519
ethane;2-ethylaniline
CID 90841248
2-ethylaniline;propane
CID 143529464
phenylphosphonamidic acid
CID 18388605
2-methylpropyl(phenyl)phosphinic acid
CID 793404
(4-nitrophenyl)methyl-phenylphosphinic acid
CID 10446198
3-[hydroxy(phenyl)phosphoryl]propanoic acid;praseodymium
CID 175321703
anilinomethyl(phenyl)phosphinic acid
CID 134996335
2-ethylaniline;sulfuric acid
CID 67820112

Frequently Asked Questions

What is the IUPAC name of (2-aminophenyl)methyl-phenylphosphinic acid?
The IUPAC name of (2-aminophenyl)methyl-phenylphosphinic acid (CID 13270423) is (2-aminophenyl)methyl-phenylphosphinic acid.
What is the SMILES notation for (2-aminophenyl)methyl-phenylphosphinic acid?
The canonical SMILES for (2-aminophenyl)methyl-phenylphosphinic acid is Nc1ccccc1CP(=O)(O)c1ccccc1.
What is the InChIKey of (2-aminophenyl)methyl-phenylphosphinic acid?
The InChIKey is VPCROOYVHIVMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14NO2P/c14-13-9-5-4-6-11(13)10-17(15,16)12-7-2-1-3-8-12/h1-9H,10,14H2,(H,15,16).
What are the key properties of (2-aminophenyl)methyl-phenylphosphinic acid?
(2-aminophenyl)methyl-phenylphosphinic acid has a molecular weight of 247.23 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminophenyl)methyl-phenylphosphinic acid is sourced from PubChem (CID 13270423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).