sodium [4-(dimethylamino)-2-methylphenyl]-oxido-oxophosphanium

C9H12NNaO2P+ — CID 23688457

IUPACsodium [4-(dimethylamino)-2-methylphenyl]-oxido-oxophosphanium
SMILESCc1cc(N(C)C)ccc1[P+](=O)[O-].[Na+]
InChIInChI=1S/C9H12NO2P.Na/c1-7-6-8(10(2)3)4-5-9(7)13(11)12;/h4-6H,1-3H3;/q;+1
InChIKeySFEYIBBXGHFLAS-UHFFFAOYSA-N
MW220.16 g/mol
LogP-2.21
Rot. Bonds2

About sodium [4-(dimethylamino)-2-methylphenyl]-oxido-oxophosphanium

sodium [4-(dimethylamino)-2-methylphenyl]-oxido-oxophosphanium (PubChem CID 23688457) has the molecular formula C9H12NNaO2P+ and a molecular weight of 220.16 g/mol. Its IUPAC name is sodium [4-(dimethylamino)-2-methylphenyl]-oxido-oxophosphanium.

Molecular Properties

Compound Namesodium [4-(dimethylamino)-2-methylphenyl]-oxido-oxophosphanium
PubChem CID23688457
Molecular FormulaC9H12NNaO2P+
Molecular Weight220.16 g/mol
Exact Mass220.05
IUPAC Namesodium [4-(dimethylamino)-2-methylphenyl]-oxido-oxophosphanium
SMILESCc1cc(N(C)C)ccc1[P+](=O)[O-].[Na+]
InChIInChI=1S/C9H12NO2P.Na/c1-7-6-8(10(2)3)4-5-9(7)13(11)12;/h4-6H,1-3H3;/q;+1
InChIKeySFEYIBBXGHFLAS-UHFFFAOYSA-N
XLogP-2.21
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.16
LogP ≤ 5-2.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze sodium [4-(dimethylamino)-2-methylphenyl]-oxido-oxophosphanium with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of sodium [4-(dimethylamino)-2-methylphenyl]-oxido-oxophosphanium?
The IUPAC name of sodium [4-(dimethylamino)-2-methylphenyl]-oxido-oxophosphanium (CID 23688457) is sodium [4-(dimethylamino)-2-methylphenyl]-oxido-oxophosphanium.
What is the SMILES notation for sodium [4-(dimethylamino)-2-methylphenyl]-oxido-oxophosphanium?
The canonical SMILES for sodium [4-(dimethylamino)-2-methylphenyl]-oxido-oxophosphanium is Cc1cc(N(C)C)ccc1[P+](=O)[O-].[Na+].
What is the InChIKey of sodium [4-(dimethylamino)-2-methylphenyl]-oxido-oxophosphanium?
The InChIKey is SFEYIBBXGHFLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12NO2P.Na/c1-7-6-8(10(2)3)4-5-9(7)13(11)12;/h4-6H,1-3H3;/q;+1.
What are the key properties of sodium [4-(dimethylamino)-2-methylphenyl]-oxido-oxophosphanium?
sodium [4-(dimethylamino)-2-methylphenyl]-oxido-oxophosphanium has a molecular weight of 220.16 g/mol, XLogP of -2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium [4-(dimethylamino)-2-methylphenyl]-oxido-oxophosphanium is sourced from PubChem (CID 23688457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).