N-[(2-methoxyphenoxy)-methylphosphoryl]-2,6-dimethylaniline

C16H20NO3P — CID 602836

IUPACN-[(2-methoxyphenoxy)-methylphosphoryl]-2,6-dimethylaniline
SMILESCOc1ccccc1OP(C)(=O)Nc1c(C)cccc1C
InChIInChI=1S/C16H20NO3P/c1-12-8-7-9-13(2)16(12)17-21(4,18)20-15-11-6-5-10-14(15)19-3/h5-11H,1-4H3,(H,17,18)
InChIKeyHGBIHQXJLCLKRM-UHFFFAOYSA-N
MW305.31 g/mol
LogP4.63
Rot. Bonds5

About N-[(2-methoxyphenoxy)-methylphosphoryl]-2,6-dimethylaniline

N-[(2-methoxyphenoxy)-methylphosphoryl]-2,6-dimethylaniline (PubChem CID 602836) has the molecular formula C16H20NO3P and a molecular weight of 305.31 g/mol. Its IUPAC name is N-[(2-methoxyphenoxy)-methylphosphoryl]-2,6-dimethylaniline.

Molecular Properties

Compound NameN-[(2-methoxyphenoxy)-methylphosphoryl]-2,6-dimethylaniline
PubChem CID602836
Molecular FormulaC16H20NO3P
Molecular Weight305.31 g/mol
Exact Mass305.12
IUPAC NameN-[(2-methoxyphenoxy)-methylphosphoryl]-2,6-dimethylaniline
SMILESCOc1ccccc1OP(C)(=O)Nc1c(C)cccc1C
InChIInChI=1S/C16H20NO3P/c1-12-8-7-9-13(2)16(12)17-21(4,18)20-15-11-6-5-10-14(15)19-3/h5-11H,1-4H3,(H,17,18)
InChIKeyHGBIHQXJLCLKRM-UHFFFAOYSA-N
XLogP4.63
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 54.63
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 N-[(2-methoxyphenoxy)-methylphosphoryl]-2,6-dimethylaniline?
The IUPAC name of N-[(2-methoxyphenoxy)-methylphosphoryl]-2,6-dimethylaniline (CID 602836) is N-[(2-methoxyphenoxy)-methylphosphoryl]-2,6-dimethylaniline.
What is the SMILES notation for N-[(2-methoxyphenoxy)-methylphosphoryl]-2,6-dimethylaniline?
The canonical SMILES for N-[(2-methoxyphenoxy)-methylphosphoryl]-2,6-dimethylaniline is COc1ccccc1OP(C)(=O)Nc1c(C)cccc1C.
What is the InChIKey of N-[(2-methoxyphenoxy)-methylphosphoryl]-2,6-dimethylaniline?
The InChIKey is HGBIHQXJLCLKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20NO3P/c1-12-8-7-9-13(2)16(12)17-21(4,18)20-15-11-6-5-10-14(15)19-3/h5-11H,1-4H3,(H,17,18).
What are the key properties of N-[(2-methoxyphenoxy)-methylphosphoryl]-2,6-dimethylaniline?
N-[(2-methoxyphenoxy)-methylphosphoryl]-2,6-dimethylaniline has a molecular weight of 305.31 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenoxy)-methylphosphoryl]-2,6-dimethylaniline is sourced from PubChem (CID 602836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).