N-[diethoxyphosphoryl-(2,5-dimethoxyphenyl)methyl]aniline

C19H26NO5P — CID 2908324

IUPACN-[diethoxyphosphoryl-(2,5-dimethoxyphenyl)methyl]aniline
SMILESCCOP(=O)(OCC)C(Nc1ccccc1)c1cc(OC)ccc1OC
InChIInChI=1S/C19H26NO5P/c1-5-24-26(21,25-6-2)19(20-15-10-8-7-9-11-15)17-14-16(22-3)12-13-18(17)23-4/h7-14,19-20H,5-6H2,1-4H3
InChIKeyGZZZYZVMRMCPLQ-UHFFFAOYSA-N
MW379.39 g/mol
LogP5.08
Rot. Bonds10

About N-[diethoxyphosphoryl-(2,5-dimethoxyphenyl)methyl]aniline

N-[diethoxyphosphoryl-(2,5-dimethoxyphenyl)methyl]aniline (PubChem CID 2908324) has the molecular formula C19H26NO5P and a molecular weight of 379.39 g/mol. Its IUPAC name is N-[diethoxyphosphoryl-(2,5-dimethoxyphenyl)methyl]aniline.

Molecular Properties

Compound NameN-[diethoxyphosphoryl-(2,5-dimethoxyphenyl)methyl]aniline
PubChem CID2908324
Molecular FormulaC19H26NO5P
Molecular Weight379.39 g/mol
Exact Mass379.15
IUPAC NameN-[diethoxyphosphoryl-(2,5-dimethoxyphenyl)methyl]aniline
SMILESCCOP(=O)(OCC)C(Nc1ccccc1)c1cc(OC)ccc1OC
InChIInChI=1S/C19H26NO5P/c1-5-24-26(21,25-6-2)19(20-15-10-8-7-9-11-15)17-14-16(22-3)12-13-18(17)23-4/h7-14,19-20H,5-6H2,1-4H3
InChIKeyGZZZYZVMRMCPLQ-UHFFFAOYSA-N
XLogP5.08
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.39
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-{[(2-Fluorophenyl)amino]methyl}-4-methoxyphenol
CID 4447506
N-[1-(2,3-dimethoxyphenyl)but-3-enyl]aniline
CID 2772097
N-(2-hydroxy-5-methoxybenzyl)aniline
CID 13580474
2,3-dihydro-1H-inden-5-yl(2,5-dimethoxybenzyl)amine
CID 784087
Diisopropyl ((2,5-dimethoxyphenyl)(phenylamino)methyl)phosphonate
CID 3287665
Diphenyl [(4-methoxyphenyl)(phenylamino)methyl]phosphonate
CID 3572958
[(2-Fluoro-phenyl)-(4-methoxy-phenylamino)-methyl]-phosphonic acid diphenyl ester
CID 3797670
N-[1,3-benzodioxol-4-yl-di(propan-2-yloxy)phosphorylmethyl]aniline
CID 4060378
Propyl ((2,5-dimethoxyphenyl)(hydroxy)methyl)(4-(dimethylamino)phenyl)phosphinate
CID 4638637
[(4-Ethoxy-phenylamino)-phenyl-methyl]-phosphonic acid dimethyl ester
CID 630631
2-[(4-Dimethoxyphosphorylanilino)methyl]benzene-1,4-diol
CID 390796
Piperazine, 1-(2,5-dimethoxybenzyl)-4-phenyl-
CID 115951

Frequently Asked Questions

What is the IUPAC name of N-[diethoxyphosphoryl-(2,5-dimethoxyphenyl)methyl]aniline?
The IUPAC name of N-[diethoxyphosphoryl-(2,5-dimethoxyphenyl)methyl]aniline (CID 2908324) is N-[diethoxyphosphoryl-(2,5-dimethoxyphenyl)methyl]aniline.
What is the SMILES notation for N-[diethoxyphosphoryl-(2,5-dimethoxyphenyl)methyl]aniline?
The canonical SMILES for N-[diethoxyphosphoryl-(2,5-dimethoxyphenyl)methyl]aniline is CCOP(=O)(OCC)C(Nc1ccccc1)c1cc(OC)ccc1OC.
What is the InChIKey of N-[diethoxyphosphoryl-(2,5-dimethoxyphenyl)methyl]aniline?
The InChIKey is GZZZYZVMRMCPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26NO5P/c1-5-24-26(21,25-6-2)19(20-15-10-8-7-9-11-15)17-14-16(22-3)12-13-18(17)23-4/h7-14,19-20H,5-6H2,1-4H3.
What are the key properties of N-[diethoxyphosphoryl-(2,5-dimethoxyphenyl)methyl]aniline?
N-[diethoxyphosphoryl-(2,5-dimethoxyphenyl)methyl]aniline has a molecular weight of 379.39 g/mol, XLogP of 5.08, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[diethoxyphosphoryl-(2,5-dimethoxyphenyl)methyl]aniline is sourced from PubChem (CID 2908324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).