2-[dimethoxyphosphanyl(phenyl)methyl]-N-methylaniline

C16H20NO2P — CID 142499461

IUPAC2-[dimethoxyphosphanyl(phenyl)methyl]-N-methylaniline
SMILESCNc1ccccc1C(c1ccccc1)P(OC)OC
InChIInChI=1S/C16H20NO2P/c1-17-15-12-8-7-11-14(15)16(20(18-2)19-3)13-9-5-4-6-10-13/h4-12,16-17H,1-3H3
InChIKeyXETMPMUSIZEIDO-UHFFFAOYSA-N
MW289.32 g/mol
LogP4.42
Rot. Bonds6

About 2-[dimethoxyphosphanyl(phenyl)methyl]-N-methylaniline

2-[dimethoxyphosphanyl(phenyl)methyl]-N-methylaniline (PubChem CID 142499461) has the molecular formula C16H20NO2P and a molecular weight of 289.32 g/mol. Its IUPAC name is 2-[dimethoxyphosphanyl(phenyl)methyl]-N-methylaniline.

Molecular Properties

Compound Name2-[dimethoxyphosphanyl(phenyl)methyl]-N-methylaniline
PubChem CID142499461
Molecular FormulaC16H20NO2P
Molecular Weight289.32 g/mol
Exact Mass289.12
IUPAC Name2-[dimethoxyphosphanyl(phenyl)methyl]-N-methylaniline
SMILESCNc1ccccc1C(c1ccccc1)P(OC)OC
InChIInChI=1S/C16H20NO2P/c1-17-15-12-8-7-11-14(15)16(20(18-2)19-3)13-9-5-4-6-10-13/h4-12,16-17H,1-3H3
InChIKeyXETMPMUSIZEIDO-UHFFFAOYSA-N
XLogP4.42
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 54.42
H-Bond Donors ≤ 51
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-[dimethoxyphosphanyl(phenyl)methyl]-N-methylaniline?
The IUPAC name of 2-[dimethoxyphosphanyl(phenyl)methyl]-N-methylaniline (CID 142499461) is 2-[dimethoxyphosphanyl(phenyl)methyl]-N-methylaniline.
What is the SMILES notation for 2-[dimethoxyphosphanyl(phenyl)methyl]-N-methylaniline?
The canonical SMILES for 2-[dimethoxyphosphanyl(phenyl)methyl]-N-methylaniline is CNc1ccccc1C(c1ccccc1)P(OC)OC.
What is the InChIKey of 2-[dimethoxyphosphanyl(phenyl)methyl]-N-methylaniline?
The InChIKey is XETMPMUSIZEIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20NO2P/c1-17-15-12-8-7-11-14(15)16(20(18-2)19-3)13-9-5-4-6-10-13/h4-12,16-17H,1-3H3.
What are the key properties of 2-[dimethoxyphosphanyl(phenyl)methyl]-N-methylaniline?
2-[dimethoxyphosphanyl(phenyl)methyl]-N-methylaniline has a molecular weight of 289.32 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dimethoxyphosphanyl(phenyl)methyl]-N-methylaniline is sourced from PubChem (CID 142499461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).