bis(N-methylmethanamine);phosphoryl trichloride

C4H14Cl3N2OP — CID 87999351

IUPACbis(N-methylmethanamine);phosphoryl trichloride
SMILESCNC.CNC.O=P(Cl)(Cl)Cl
InChIInChI=1S/2C2H7N.Cl3OP/c2*1-3-2;1-5(2,3)4/h2*3H,1-2H3;
InChIKeyGKXNLRIJCSNLDV-UHFFFAOYSA-N
MW243.50 g/mol
LogP2.48
Rot. Bonds

About bis(N-methylmethanamine);phosphoryl trichloride

bis(N-methylmethanamine);phosphoryl trichloride (PubChem CID 87999351) has the molecular formula C4H14Cl3N2OP and a molecular weight of 243.50 g/mol. Its IUPAC name is bis(N-methylmethanamine);phosphoryl trichloride.

Molecular Properties

Compound Namebis(N-methylmethanamine);phosphoryl trichloride
PubChem CID87999351
Molecular FormulaC4H14Cl3N2OP
Molecular Weight243.50 g/mol
Exact Mass241.99
IUPAC Namebis(N-methylmethanamine);phosphoryl trichloride
SMILESCNC.CNC.O=P(Cl)(Cl)Cl
InChIInChI=1S/2C2H7N.Cl3OP/c2*1-3-2;1-5(2,3)4/h2*3H,1-2H3;
InChIKeyGKXNLRIJCSNLDV-UHFFFAOYSA-N
XLogP2.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.50
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze bis(N-methylmethanamine);phosphoryl trichloride 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 bis(N-methylmethanamine);phosphoryl trichloride?
The IUPAC name of bis(N-methylmethanamine);phosphoryl trichloride (CID 87999351) is bis(N-methylmethanamine);phosphoryl trichloride.
What is the SMILES notation for bis(N-methylmethanamine);phosphoryl trichloride?
The canonical SMILES for bis(N-methylmethanamine);phosphoryl trichloride is CNC.CNC.O=P(Cl)(Cl)Cl.
What is the InChIKey of bis(N-methylmethanamine);phosphoryl trichloride?
The InChIKey is GKXNLRIJCSNLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H7N.Cl3OP/c2*1-3-2;1-5(2,3)4/h2*3H,1-2H3;.
What are the key properties of bis(N-methylmethanamine);phosphoryl trichloride?
bis(N-methylmethanamine);phosphoryl trichloride has a molecular weight of 243.50 g/mol, XLogP of 2.48, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-methylmethanamine);phosphoryl trichloride is sourced from PubChem (CID 87999351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).