2-diphenylphosphanyl-4,6-dimethylaniline

C20H20NP — CID 10590687

IUPAC2-diphenylphosphanyl-4,6-dimethylaniline
SMILESCc1cc(C)c(N)c(P(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C20H20NP/c1-15-13-16(2)20(21)19(14-15)22(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-14H,21H2,1-2H3
InChIKeyZWYHPDMQOXSLND-UHFFFAOYSA-N
MW305.36 g/mol
LogP3.64
Rot. Bonds3

About 2-diphenylphosphanyl-4,6-dimethylaniline

2-diphenylphosphanyl-4,6-dimethylaniline (PubChem CID 10590687) has the molecular formula C20H20NP and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-diphenylphosphanyl-4,6-dimethylaniline.

Molecular Properties

Compound Name2-diphenylphosphanyl-4,6-dimethylaniline
PubChem CID10590687
Molecular FormulaC20H20NP
Molecular Weight305.36 g/mol
Exact Mass305.13
IUPAC Name2-diphenylphosphanyl-4,6-dimethylaniline
SMILESCc1cc(C)c(N)c(P(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C20H20NP/c1-15-13-16(2)20(21)19(14-15)22(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-14H,21H2,1-2H3
InChIKeyZWYHPDMQOXSLND-UHFFFAOYSA-N
XLogP3.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2-diphenylphosphanyl-4,6-dimethylaniline?
The IUPAC name of 2-diphenylphosphanyl-4,6-dimethylaniline (CID 10590687) is 2-diphenylphosphanyl-4,6-dimethylaniline.
What is the SMILES notation for 2-diphenylphosphanyl-4,6-dimethylaniline?
The canonical SMILES for 2-diphenylphosphanyl-4,6-dimethylaniline is Cc1cc(C)c(N)c(P(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 2-diphenylphosphanyl-4,6-dimethylaniline?
The InChIKey is ZWYHPDMQOXSLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20NP/c1-15-13-16(2)20(21)19(14-15)22(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-14H,21H2,1-2H3.
What are the key properties of 2-diphenylphosphanyl-4,6-dimethylaniline?
2-diphenylphosphanyl-4,6-dimethylaniline has a molecular weight of 305.36 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphanyl-4,6-dimethylaniline is sourced from PubChem (CID 10590687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).