4-[dimethylphosphorylmethyl(methyl)phosphoryl]aniline

C10H17NO2P2 — CID 20634554

IUPAC4-[dimethylphosphorylmethyl(methyl)phosphoryl]aniline
SMILESCP(C)(=O)CP(C)(=O)c1ccc(N)cc1
InChIInChI=1S/C10H17NO2P2/c1-14(2,12)8-15(3,13)10-6-4-9(11)5-7-10/h4-7H,8,11H2,1-3H3
InChIKeyQWASJMBVSVMJMU-UHFFFAOYSA-N
MW245.20 g/mol
LogP2.47
Rot. Bonds3

About 4-[dimethylphosphorylmethyl(methyl)phosphoryl]aniline

4-[dimethylphosphorylmethyl(methyl)phosphoryl]aniline (PubChem CID 20634554) has the molecular formula C10H17NO2P2 and a molecular weight of 245.20 g/mol. Its IUPAC name is 4-[dimethylphosphorylmethyl(methyl)phosphoryl]aniline.

Molecular Properties

Compound Name4-[dimethylphosphorylmethyl(methyl)phosphoryl]aniline
PubChem CID20634554
Molecular FormulaC10H17NO2P2
Molecular Weight245.20 g/mol
Exact Mass245.07
IUPAC Name4-[dimethylphosphorylmethyl(methyl)phosphoryl]aniline
SMILESCP(C)(=O)CP(C)(=O)c1ccc(N)cc1
InChIInChI=1S/C10H17NO2P2/c1-14(2,12)8-15(3,13)10-6-4-9(11)5-7-10/h4-7H,8,11H2,1-3H3
InChIKeyQWASJMBVSVMJMU-UHFFFAOYSA-N
XLogP2.47
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[dimethylphosphorylmethyl(methyl)phosphoryl]aniline?
The IUPAC name of 4-[dimethylphosphorylmethyl(methyl)phosphoryl]aniline (CID 20634554) is 4-[dimethylphosphorylmethyl(methyl)phosphoryl]aniline.
What is the SMILES notation for 4-[dimethylphosphorylmethyl(methyl)phosphoryl]aniline?
The canonical SMILES for 4-[dimethylphosphorylmethyl(methyl)phosphoryl]aniline is CP(C)(=O)CP(C)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-[dimethylphosphorylmethyl(methyl)phosphoryl]aniline?
The InChIKey is QWASJMBVSVMJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2P2/c1-14(2,12)8-15(3,13)10-6-4-9(11)5-7-10/h4-7H,8,11H2,1-3H3.
What are the key properties of 4-[dimethylphosphorylmethyl(methyl)phosphoryl]aniline?
4-[dimethylphosphorylmethyl(methyl)phosphoryl]aniline has a molecular weight of 245.20 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dimethylphosphorylmethyl(methyl)phosphoryl]aniline is sourced from PubChem (CID 20634554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).