4-[[4-(dimethylamino)phenyl]-methylphosphanyl]-N,N-dimethylaniline

C17H23N2P — CID 70963428

IUPAC4-[[4-(dimethylamino)phenyl]-methylphosphanyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(P(C)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C17H23N2P/c1-18(2)14-6-10-16(11-7-14)20(5)17-12-8-15(9-13-17)19(3)4/h6-13H,1-5H3
InChIKeyWXUGLYCOAHZWAQ-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.88
Rot. Bonds4

About 4-[[4-(dimethylamino)phenyl]-methylphosphanyl]-N,N-dimethylaniline

4-[[4-(dimethylamino)phenyl]-methylphosphanyl]-N,N-dimethylaniline (PubChem CID 70963428) has the molecular formula C17H23N2P and a molecular weight of 286.36 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)phenyl]-methylphosphanyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[[4-(dimethylamino)phenyl]-methylphosphanyl]-N,N-dimethylaniline
PubChem CID70963428
Molecular FormulaC17H23N2P
Molecular Weight286.36 g/mol
Exact Mass286.16
IUPAC Name4-[[4-(dimethylamino)phenyl]-methylphosphanyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(P(C)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C17H23N2P/c1-18(2)14-6-10-16(11-7-14)20(5)17-12-8-15(9-13-17)19(3)4/h6-13H,1-5H3
InChIKeyWXUGLYCOAHZWAQ-UHFFFAOYSA-N
XLogP2.88
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[[4-(dimethylamino)phenyl]-methylphosphanyl]-N,N-dimethylaniline?
The IUPAC name of 4-[[4-(dimethylamino)phenyl]-methylphosphanyl]-N,N-dimethylaniline (CID 70963428) is 4-[[4-(dimethylamino)phenyl]-methylphosphanyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[[4-(dimethylamino)phenyl]-methylphosphanyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[[4-(dimethylamino)phenyl]-methylphosphanyl]-N,N-dimethylaniline is CN(C)c1ccc(P(C)c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 4-[[4-(dimethylamino)phenyl]-methylphosphanyl]-N,N-dimethylaniline?
The InChIKey is WXUGLYCOAHZWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N2P/c1-18(2)14-6-10-16(11-7-14)20(5)17-12-8-15(9-13-17)19(3)4/h6-13H,1-5H3.
What are the key properties of 4-[[4-(dimethylamino)phenyl]-methylphosphanyl]-N,N-dimethylaniline?
4-[[4-(dimethylamino)phenyl]-methylphosphanyl]-N,N-dimethylaniline has a molecular weight of 286.36 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylamino)phenyl]-methylphosphanyl]-N,N-dimethylaniline is sourced from PubChem (CID 70963428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).