2-[[2-(dimethylamino)phenyl]-[2-(methylamino)phenyl]phosphanyl]-N-methylaniline

C22H26N3P — CID 158394511

IUPAC2-[[2-(dimethylamino)phenyl]-[2-(methylamino)phenyl]phosphanyl]-N-methylaniline
SMILESCNc1ccccc1P(c1ccccc1NC)c1ccccc1N(C)C
InChIInChI=1S/C22H26N3P/c1-23-17-11-5-8-14-20(17)26(21-15-9-6-12-18(21)24-2)22-16-10-7-13-19(22)25(3)4/h5-16,23-24H,1-4H3
InChIKeyAEYOPFAPPBGKGC-UHFFFAOYSA-N
MW363.45 g/mol
LogP3.59
Rot. Bonds6

About 2-[[2-(dimethylamino)phenyl]-[2-(methylamino)phenyl]phosphanyl]-N-methylaniline

2-[[2-(dimethylamino)phenyl]-[2-(methylamino)phenyl]phosphanyl]-N-methylaniline (PubChem CID 158394511) has the molecular formula C22H26N3P and a molecular weight of 363.45 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)phenyl]-[2-(methylamino)phenyl]phosphanyl]-N-methylaniline.

Molecular Properties

Compound Name2-[[2-(dimethylamino)phenyl]-[2-(methylamino)phenyl]phosphanyl]-N-methylaniline
PubChem CID158394511
Molecular FormulaC22H26N3P
Molecular Weight363.45 g/mol
Exact Mass363.19
IUPAC Name2-[[2-(dimethylamino)phenyl]-[2-(methylamino)phenyl]phosphanyl]-N-methylaniline
SMILESCNc1ccccc1P(c1ccccc1NC)c1ccccc1N(C)C
InChIInChI=1S/C22H26N3P/c1-23-17-11-5-8-14-20(17)26(21-15-9-6-12-18(21)24-2)22-16-10-7-13-19(22)25(3)4/h5-16,23-24H,1-4H3
InChIKeyAEYOPFAPPBGKGC-UHFFFAOYSA-N
XLogP3.59
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)phenyl]-[2-(methylamino)phenyl]phosphanyl]-N-methylaniline?
The IUPAC name of 2-[[2-(dimethylamino)phenyl]-[2-(methylamino)phenyl]phosphanyl]-N-methylaniline (CID 158394511) is 2-[[2-(dimethylamino)phenyl]-[2-(methylamino)phenyl]phosphanyl]-N-methylaniline.
What is the SMILES notation for 2-[[2-(dimethylamino)phenyl]-[2-(methylamino)phenyl]phosphanyl]-N-methylaniline?
The canonical SMILES for 2-[[2-(dimethylamino)phenyl]-[2-(methylamino)phenyl]phosphanyl]-N-methylaniline is CNc1ccccc1P(c1ccccc1NC)c1ccccc1N(C)C.
What is the InChIKey of 2-[[2-(dimethylamino)phenyl]-[2-(methylamino)phenyl]phosphanyl]-N-methylaniline?
The InChIKey is AEYOPFAPPBGKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N3P/c1-23-17-11-5-8-14-20(17)26(21-15-9-6-12-18(21)24-2)22-16-10-7-13-19(22)25(3)4/h5-16,23-24H,1-4H3.
What are the key properties of 2-[[2-(dimethylamino)phenyl]-[2-(methylamino)phenyl]phosphanyl]-N-methylaniline?
2-[[2-(dimethylamino)phenyl]-[2-(methylamino)phenyl]phosphanyl]-N-methylaniline has a molecular weight of 363.45 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)phenyl]-[2-(methylamino)phenyl]phosphanyl]-N-methylaniline is sourced from PubChem (CID 158394511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).