N-[(2-methoxyphenoxy)-methylphosphoryl]-3,4-dimethylaniline

C16H20NO3P — CID 11864159

IUPACN-[(2-methoxyphenoxy)-methylphosphoryl]-3,4-dimethylaniline
SMILESCOc1ccccc1O[P@@](C)(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C16H20NO3P/c1-12-9-10-14(11-13(12)2)17-21(4,18)20-16-8-6-5-7-15(16)19-3/h5-11H,1-4H3,(H,17,18)/t21-/m1/s1
InChIKeyUTFRWIOXBKGCTM-OAQYLSRUSA-N
MW305.31 g/mol
LogP4.63
Rot. Bonds5

About N-[(2-methoxyphenoxy)-methylphosphoryl]-3,4-dimethylaniline

N-[(2-methoxyphenoxy)-methylphosphoryl]-3,4-dimethylaniline (PubChem CID 11864159) has the molecular formula C16H20NO3P and a molecular weight of 305.31 g/mol. Its IUPAC name is N-[(2-methoxyphenoxy)-methylphosphoryl]-3,4-dimethylaniline.

Molecular Properties

Compound NameN-[(2-methoxyphenoxy)-methylphosphoryl]-3,4-dimethylaniline
PubChem CID11864159
Molecular FormulaC16H20NO3P
Molecular Weight305.31 g/mol
Exact Mass305.12
IUPAC NameN-[(2-methoxyphenoxy)-methylphosphoryl]-3,4-dimethylaniline
SMILESCOc1ccccc1O[P@@](C)(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C16H20NO3P/c1-12-9-10-14(11-13(12)2)17-21(4,18)20-16-8-6-5-7-15(16)19-3/h5-11H,1-4H3,(H,17,18)/t21-/m1/s1
InChIKeyUTFRWIOXBKGCTM-OAQYLSRUSA-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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Related Compounds

5-chloro-N-[(2-methoxyphenoxy)-methylphosphoryl]-2-methylaniline
CID 11860175
2-bromo-N-[(2-methoxyphenoxy)-methylphosphoryl]aniline
CID 11861035
N-(3,4-dimethylphenyl)-4-[(2-methoxyphenoxy)methyl]benzamide
CID 126186357
chloro-(2-methoxyphenoxy)phosphinic acid
CID 88749959
3-N-(3,4-dimethylphenyl)-1-N-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054817
3-N-(3,4-dimethylphenyl)-5-N-(2-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109108315
2,6-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776411
2-(2,3-dimethoxyphenoxy)-N-(3,4-dimethylphenyl)acetamide
CID 112978425
N-[2-[[2-(2-methoxyphenoxy)acetyl]amino]ethyl]-3,4-dimethylbenzamide
CID 108542880
1,2-dimethoxybenzene;dihydrochloride
CID 19834650
azane;1,2-dimethoxybenzene
CID 174437926
4-bromo-N-[methyl(phenoxy)phosphoryl]aniline
CID 11864281

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenoxy)-methylphosphoryl]-3,4-dimethylaniline?
The IUPAC name of N-[(2-methoxyphenoxy)-methylphosphoryl]-3,4-dimethylaniline (CID 11864159) is N-[(2-methoxyphenoxy)-methylphosphoryl]-3,4-dimethylaniline.
What is the SMILES notation for N-[(2-methoxyphenoxy)-methylphosphoryl]-3,4-dimethylaniline?
The canonical SMILES for N-[(2-methoxyphenoxy)-methylphosphoryl]-3,4-dimethylaniline is COc1ccccc1O[P@@](C)(=O)Nc1ccc(C)c(C)c1.
What is the InChIKey of N-[(2-methoxyphenoxy)-methylphosphoryl]-3,4-dimethylaniline?
The InChIKey is UTFRWIOXBKGCTM-OAQYLSRUSA-N. The full InChI is InChI=1S/C16H20NO3P/c1-12-9-10-14(11-13(12)2)17-21(4,18)20-16-8-6-5-7-15(16)19-3/h5-11H,1-4H3,(H,17,18)/t21-/m1/s1.
What are the key properties of N-[(2-methoxyphenoxy)-methylphosphoryl]-3,4-dimethylaniline?
N-[(2-methoxyphenoxy)-methylphosphoryl]-3,4-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]-3,4-dimethylaniline is sourced from PubChem (CID 11864159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).