lithium N-(diphenylphosphorylmethyl)-N-methylaniline

C20H19LiNOP — CID 134881538

IUPAClithium N-(diphenylphosphorylmethyl)-N-methylaniline
SMILESCN([CH-]P(=O)(c1ccccc1)c1ccccc1)c1ccccc1.[Li+]
InChIInChI=1S/C20H19NOP.Li/c1-21(18-11-5-2-6-12-18)17-23(22,19-13-7-3-8-14-19)20-15-9-4-10-16-20;/h2-17H,1H3;/q-1;+1
InChIKeyLDBOXOUPLYVWOV-UHFFFAOYSA-N
MW327.29 g/mol
LogP1.26
Rot. Bonds5

About lithium N-(diphenylphosphorylmethyl)-N-methylaniline

lithium N-(diphenylphosphorylmethyl)-N-methylaniline (PubChem CID 134881538) has the molecular formula C20H19LiNOP and a molecular weight of 327.29 g/mol. Its IUPAC name is lithium N-(diphenylphosphorylmethyl)-N-methylaniline.

Molecular Properties

Compound Namelithium N-(diphenylphosphorylmethyl)-N-methylaniline
PubChem CID134881538
Molecular FormulaC20H19LiNOP
Molecular Weight327.29 g/mol
Exact Mass327.14
IUPAC Namelithium N-(diphenylphosphorylmethyl)-N-methylaniline
SMILESCN([CH-]P(=O)(c1ccccc1)c1ccccc1)c1ccccc1.[Li+]
InChIInChI=1S/C20H19NOP.Li/c1-21(18-11-5-2-6-12-18)17-23(22,19-13-7-3-8-14-19)20-15-9-4-10-16-20;/h2-17H,1H3;/q-1;+1
InChIKeyLDBOXOUPLYVWOV-UHFFFAOYSA-N
XLogP1.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.29
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium N-(diphenylphosphorylmethyl)-N-methylaniline?
The IUPAC name of lithium N-(diphenylphosphorylmethyl)-N-methylaniline (CID 134881538) is lithium N-(diphenylphosphorylmethyl)-N-methylaniline.
What is the SMILES notation for lithium N-(diphenylphosphorylmethyl)-N-methylaniline?
The canonical SMILES for lithium N-(diphenylphosphorylmethyl)-N-methylaniline is CN([CH-]P(=O)(c1ccccc1)c1ccccc1)c1ccccc1.[Li+].
What is the InChIKey of lithium N-(diphenylphosphorylmethyl)-N-methylaniline?
The InChIKey is LDBOXOUPLYVWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NOP.Li/c1-21(18-11-5-2-6-12-18)17-23(22,19-13-7-3-8-14-19)20-15-9-4-10-16-20;/h2-17H,1H3;/q-1;+1.
What are the key properties of lithium N-(diphenylphosphorylmethyl)-N-methylaniline?
lithium N-(diphenylphosphorylmethyl)-N-methylaniline has a molecular weight of 327.29 g/mol, XLogP of 1.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium N-(diphenylphosphorylmethyl)-N-methylaniline is sourced from PubChem (CID 134881538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).