4-diphenylphosphanyl-N,N-dimethylaniline

C20H20NP — CID 3333592

IUPAC4-diphenylphosphanyl-N,N-dimethylaniline
SMILESCN(C)c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H20NP/c1-21(2)17-13-15-20(16-14-17)22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16H,1-2H3
InChIKeyGOEGBJDTWXTPHP-UHFFFAOYSA-N
MW305.36 g/mol
LogP3.51
Rot. Bonds4

About 4-diphenylphosphanyl-N,N-dimethylaniline

4-diphenylphosphanyl-N,N-dimethylaniline (PubChem CID 3333592) has the molecular formula C20H20NP and a molecular weight of 305.36 g/mol. Its IUPAC name is 4-diphenylphosphanyl-N,N-dimethylaniline.

Molecular Properties

Compound Name4-diphenylphosphanyl-N,N-dimethylaniline
PubChem CID3333592
Molecular FormulaC20H20NP
Molecular Weight305.36 g/mol
Exact Mass305.13
IUPAC Name4-diphenylphosphanyl-N,N-dimethylaniline
SMILESCN(C)c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H20NP/c1-21(2)17-13-15-20(16-14-17)22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16H,1-2H3
InChIKeyGOEGBJDTWXTPHP-UHFFFAOYSA-N
XLogP3.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-diphenylphosphanyl-N,N-dimethylaniline?
The IUPAC name of 4-diphenylphosphanyl-N,N-dimethylaniline (CID 3333592) is 4-diphenylphosphanyl-N,N-dimethylaniline.
What is the SMILES notation for 4-diphenylphosphanyl-N,N-dimethylaniline?
The canonical SMILES for 4-diphenylphosphanyl-N,N-dimethylaniline is CN(C)c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-diphenylphosphanyl-N,N-dimethylaniline?
The InChIKey is GOEGBJDTWXTPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20NP/c1-21(2)17-13-15-20(16-14-17)22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16H,1-2H3.
What are the key properties of 4-diphenylphosphanyl-N,N-dimethylaniline?
4-diphenylphosphanyl-N,N-dimethylaniline has a molecular weight of 305.36 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diphenylphosphanyl-N,N-dimethylaniline is sourced from PubChem (CID 3333592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).