[4-(methylamino)phenyl]methylphosphonic acid

C8H12NO3P — CID 70930648

IUPAC[4-(methylamino)phenyl]methylphosphonic acid
SMILESCNc1ccc(CP(=O)(O)O)cc1
InChIInChI=1S/C8H12NO3P/c1-9-8-4-2-7(3-5-8)6-13(10,11)12/h2-5,9H,6H2,1H3,(H2,10,11,12)
InChIKeyYEBJBBFBIXWJDE-UHFFFAOYSA-N
MW201.16 g/mol
LogP1.41
Rot. Bonds3

About [4-(methylamino)phenyl]methylphosphonic acid

[4-(methylamino)phenyl]methylphosphonic acid (PubChem CID 70930648) has the molecular formula C8H12NO3P and a molecular weight of 201.16 g/mol. Its IUPAC name is [4-(methylamino)phenyl]methylphosphonic acid.

Molecular Properties

Compound Name[4-(methylamino)phenyl]methylphosphonic acid
PubChem CID70930648
Molecular FormulaC8H12NO3P
Molecular Weight201.16 g/mol
Exact Mass201.06
IUPAC Name[4-(methylamino)phenyl]methylphosphonic acid
SMILESCNc1ccc(CP(=O)(O)O)cc1
InChIInChI=1S/C8H12NO3P/c1-9-8-4-2-7(3-5-8)6-13(10,11)12/h2-5,9H,6H2,1H3,(H2,10,11,12)
InChIKeyYEBJBBFBIXWJDE-UHFFFAOYSA-N
XLogP1.41
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.16
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)phenyl]methylphosphonic acid?
The IUPAC name of [4-(methylamino)phenyl]methylphosphonic acid (CID 70930648) is [4-(methylamino)phenyl]methylphosphonic acid.
What is the SMILES notation for [4-(methylamino)phenyl]methylphosphonic acid?
The canonical SMILES for [4-(methylamino)phenyl]methylphosphonic acid is CNc1ccc(CP(=O)(O)O)cc1.
What is the InChIKey of [4-(methylamino)phenyl]methylphosphonic acid?
The InChIKey is YEBJBBFBIXWJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12NO3P/c1-9-8-4-2-7(3-5-8)6-13(10,11)12/h2-5,9H,6H2,1H3,(H2,10,11,12).
What are the key properties of [4-(methylamino)phenyl]methylphosphonic acid?
[4-(methylamino)phenyl]methylphosphonic acid has a molecular weight of 201.16 g/mol, XLogP of 1.41, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)phenyl]methylphosphonic acid is sourced from PubChem (CID 70930648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).