[methyl(naphthalen-1-yl)amino]methylphosphonic acid

C12H14NO3P — CID 19024142

IUPAC[methyl(naphthalen-1-yl)amino]methylphosphonic acid
SMILESCN(CP(=O)(O)O)c1cccc2ccccc12
InChIInChI=1S/C12H14NO3P/c1-13(9-17(14,15)16)12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,9H2,1H3,(H2,14,15,16)
InChIKeyWGYWGOXAOWTSON-UHFFFAOYSA-N
MW251.22 g/mol
LogP2.41
Rot. Bonds3

About [methyl(naphthalen-1-yl)amino]methylphosphonic acid

[methyl(naphthalen-1-yl)amino]methylphosphonic acid (PubChem CID 19024142) has the molecular formula C12H14NO3P and a molecular weight of 251.22 g/mol. Its IUPAC name is [methyl(naphthalen-1-yl)amino]methylphosphonic acid.

Molecular Properties

Compound Name[methyl(naphthalen-1-yl)amino]methylphosphonic acid
PubChem CID19024142
Molecular FormulaC12H14NO3P
Molecular Weight251.22 g/mol
Exact Mass251.07
IUPAC Name[methyl(naphthalen-1-yl)amino]methylphosphonic acid
SMILESCN(CP(=O)(O)O)c1cccc2ccccc12
InChIInChI=1S/C12H14NO3P/c1-13(9-17(14,15)16)12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,9H2,1H3,(H2,14,15,16)
InChIKeyWGYWGOXAOWTSON-UHFFFAOYSA-N
XLogP2.41
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.22
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(bromomethyl)-N-methylnaphthalen-1-amine
CID 115261813
2-[methyl(naphthalen-1-yl)amino]ethanethiol
CID 115223888
N,N-dimethylnaphthalen-1-amine;hydroxylamine
CID 135773162
N,N-dimethylnaphthalen-1-amine;sulfuric acid
CID 159908177
N,N-diethyl-2-[methyl(naphthalen-1-yl)amino]acetamide
CID 60570383
methyl N-methoxycarbonyl-N-naphthalen-1-ylcarbamate
CID 138084079
N-[(4-aminophenyl)methyl]-N-methylnaphthalen-1-amine
CID 115212453
3-[methyl(naphthalen-1-yl)amino]propanenitrile
CID 115230840
2-hydroxy-N-methyl-N-naphthalen-1-ylacetamide
CID 115139787
[(3-bromo-5-methylphenyl)sulfonyl-naphthalen-1-ylamino]methylphosphonic acid
CID 59533955
1,1,2,2-tetranaphthalen-1-ylhydrazine
CID 21439529
N-diaminophosphinothioyl-N-methylnaphthalen-1-amine
CID 56607870

Frequently Asked Questions

What is the IUPAC name of [methyl(naphthalen-1-yl)amino]methylphosphonic acid?
The IUPAC name of [methyl(naphthalen-1-yl)amino]methylphosphonic acid (CID 19024142) is [methyl(naphthalen-1-yl)amino]methylphosphonic acid.
What is the SMILES notation for [methyl(naphthalen-1-yl)amino]methylphosphonic acid?
The canonical SMILES for [methyl(naphthalen-1-yl)amino]methylphosphonic acid is CN(CP(=O)(O)O)c1cccc2ccccc12.
What is the InChIKey of [methyl(naphthalen-1-yl)amino]methylphosphonic acid?
The InChIKey is WGYWGOXAOWTSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14NO3P/c1-13(9-17(14,15)16)12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,9H2,1H3,(H2,14,15,16).
What are the key properties of [methyl(naphthalen-1-yl)amino]methylphosphonic acid?
[methyl(naphthalen-1-yl)amino]methylphosphonic acid has a molecular weight of 251.22 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl(naphthalen-1-yl)amino]methylphosphonic acid is sourced from PubChem (CID 19024142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).