N-[diethoxyphosphoryl-(4-methylphenyl)methyl]-2-methylaniline

C19H26NO3P — CID 102378436

IUPACN-[diethoxyphosphoryl-(4-methylphenyl)methyl]-2-methylaniline
SMILESCCOP(=O)(OCC)C(Nc1ccccc1C)c1ccc(C)cc1
InChIInChI=1S/C19H26NO3P/c1-5-22-24(21,23-6-2)19(17-13-11-15(3)12-14-17)20-18-10-8-7-9-16(18)4/h7-14,19-20H,5-6H2,1-4H3
InChIKeyLGGZPCXILHHERK-UHFFFAOYSA-N
MW347.40 g/mol
LogP5.68
Rot. Bonds8

About N-[diethoxyphosphoryl-(4-methylphenyl)methyl]-2-methylaniline

N-[diethoxyphosphoryl-(4-methylphenyl)methyl]-2-methylaniline (PubChem CID 102378436) has the molecular formula C19H26NO3P and a molecular weight of 347.40 g/mol. Its IUPAC name is N-[diethoxyphosphoryl-(4-methylphenyl)methyl]-2-methylaniline.

Molecular Properties

Compound NameN-[diethoxyphosphoryl-(4-methylphenyl)methyl]-2-methylaniline
PubChem CID102378436
Molecular FormulaC19H26NO3P
Molecular Weight347.40 g/mol
Exact Mass347.17
IUPAC NameN-[diethoxyphosphoryl-(4-methylphenyl)methyl]-2-methylaniline
SMILESCCOP(=O)(OCC)C(Nc1ccccc1C)c1ccc(C)cc1
InChIInChI=1S/C19H26NO3P/c1-5-22-24(21,23-6-2)19(17-13-11-15(3)12-14-17)20-18-10-8-7-9-16(18)4/h7-14,19-20H,5-6H2,1-4H3
InChIKeyLGGZPCXILHHERK-UHFFFAOYSA-N
XLogP5.68
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.40
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[diethoxyphosphoryl(phenyl)methyl]-2-methylsulfanylaniline
CID 102431976
N-[diethoxyphosphoryl-(4-methylphenyl)methyl]-1,3-benzothiazol-2-amine
CID 102493388
2,4,5-trichloro-N-[diethoxyphosphoryl(phenyl)methyl]aniline
CID 132583108
3-[diethoxyphosphoryl-(2-methylanilino)methyl]-1H-quinolin-2-one
CID 172821676
N-[diethoxyphosphoryl-(4-nitrophenyl)methyl]-4-methylaniline
CID 102432813
N-[diethoxyphosphoryl(phenyl)methyl]-4-methylbenzenesulfinamide
CID 85216866
N-[diethoxyphosphoryl-(4-nitrophenyl)methyl]-2-methoxyaniline
CID 71740411
tert-butyl N-[diethoxyphosphoryl-(4-methylphenyl)methyl]carbamate
CID 10832165
tert-butyl N-[(R)-diethoxyphosphoryl-(4-methylphenyl)methyl]carbamate
CID 101090705
N-[diethoxyphosphoryl-(3-fluorophenyl)methyl]-2-fluoroaniline
CID 16744084
N-[dimethoxyphosphoryl(phenyl)methyl]-2,5-dimethylaniline
CID 3093271
N-[diethoxyphosphoryl-[4-(dimethylamino)phenyl]methyl]-2-methyl-4-nitroaniline
CID 21210793

Frequently Asked Questions

What is the IUPAC name of N-[diethoxyphosphoryl-(4-methylphenyl)methyl]-2-methylaniline?
The IUPAC name of N-[diethoxyphosphoryl-(4-methylphenyl)methyl]-2-methylaniline (CID 102378436) is N-[diethoxyphosphoryl-(4-methylphenyl)methyl]-2-methylaniline.
What is the SMILES notation for N-[diethoxyphosphoryl-(4-methylphenyl)methyl]-2-methylaniline?
The canonical SMILES for N-[diethoxyphosphoryl-(4-methylphenyl)methyl]-2-methylaniline is CCOP(=O)(OCC)C(Nc1ccccc1C)c1ccc(C)cc1.
What is the InChIKey of N-[diethoxyphosphoryl-(4-methylphenyl)methyl]-2-methylaniline?
The InChIKey is LGGZPCXILHHERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26NO3P/c1-5-22-24(21,23-6-2)19(17-13-11-15(3)12-14-17)20-18-10-8-7-9-16(18)4/h7-14,19-20H,5-6H2,1-4H3.
What are the key properties of N-[diethoxyphosphoryl-(4-methylphenyl)methyl]-2-methylaniline?
N-[diethoxyphosphoryl-(4-methylphenyl)methyl]-2-methylaniline has a molecular weight of 347.40 g/mol, XLogP of 5.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[diethoxyphosphoryl-(4-methylphenyl)methyl]-2-methylaniline is sourced from PubChem (CID 102378436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).