4-diethylphosphoryl-N-(2-methylpropyl)-2-(trideuteriomethoxy)aniline

C15H26NO2P — CID 172536041

IUPAC4-diethylphosphoryl-N-(2-methylpropyl)-2-(trideuteriomethoxy)aniline
SMILES[2H]C([2H])([2H])Oc1cc(P(=O)(CC)CC)ccc1NCC(C)C
InChIInChI=1S/C15H26NO2P/c1-6-19(17,7-2)13-8-9-14(15(10-13)18-5)16-11-12(3)4/h8-10,12,16H,6-7,11H2,1-5H3/i5D3
InChIKeyQHVHILLKECZVCU-VPYROQPTSA-N
MW286.37 g/mol
LogP3.79
Rot. Bonds8

About 4-diethylphosphoryl-N-(2-methylpropyl)-2-(trideuteriomethoxy)aniline

4-diethylphosphoryl-N-(2-methylpropyl)-2-(trideuteriomethoxy)aniline (PubChem CID 172536041) has the molecular formula C15H26NO2P and a molecular weight of 286.37 g/mol. Its IUPAC name is 4-diethylphosphoryl-N-(2-methylpropyl)-2-(trideuteriomethoxy)aniline.

Molecular Properties

Compound Name4-diethylphosphoryl-N-(2-methylpropyl)-2-(trideuteriomethoxy)aniline
PubChem CID172536041
Molecular FormulaC15H26NO2P
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name4-diethylphosphoryl-N-(2-methylpropyl)-2-(trideuteriomethoxy)aniline
SMILES[2H]C([2H])([2H])Oc1cc(P(=O)(CC)CC)ccc1NCC(C)C
InChIInChI=1S/C15H26NO2P/c1-6-19(17,7-2)13-8-9-14(15(10-13)18-5)16-11-12(3)4/h8-10,12,16H,6-7,11H2,1-5H3/i5D3
InChIKeyQHVHILLKECZVCU-VPYROQPTSA-N
XLogP3.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.79
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

N-butyl-4-dimethylphosphoryl-2-methoxyaniline
CID 178009905
2-methoxy-N-(2-methylpropyl)-5-nitroaniline
CID 43717753
4-bromo-2-ethyl-N-(2-methylpropyl)aniline
CID 81292281
N-(2-methylpropyl)-2-propoxyaniline
CID 43682255
methyl 5-amino-2-(2-methylpropylamino)benzoate
CID 61312657
[3-hydroxy-4-(2-methylpropylamino)phenyl] N-butan-2-ylcarbamate
CID 68712751
N-(2-ethylbutyl)-4-fluoro-2-methoxyaniline
CID 60961963
3-(2-methylpropylamino)cyclobut-3-ene-1,2-dione
CID 11171097
N-[2-ethoxy-4-methoxy-3-(2-methylpropylamino)phenyl]acetamide
CID 70521499
5-amino-N-(2-methoxyethyl)-2-(2-methylpropylamino)benzamide
CID 100638798
N-ethyl-4-(2-methylpropylamino)-3-nitrobenzamide
CID 82993350
3-acetamido-4-methoxy-N-(2-methylpropyl)benzamide
CID 110764209

Frequently Asked Questions

What is the IUPAC name of 4-diethylphosphoryl-N-(2-methylpropyl)-2-(trideuteriomethoxy)aniline?
The IUPAC name of 4-diethylphosphoryl-N-(2-methylpropyl)-2-(trideuteriomethoxy)aniline (CID 172536041) is 4-diethylphosphoryl-N-(2-methylpropyl)-2-(trideuteriomethoxy)aniline.
What is the SMILES notation for 4-diethylphosphoryl-N-(2-methylpropyl)-2-(trideuteriomethoxy)aniline?
The canonical SMILES for 4-diethylphosphoryl-N-(2-methylpropyl)-2-(trideuteriomethoxy)aniline is [2H]C([2H])([2H])Oc1cc(P(=O)(CC)CC)ccc1NCC(C)C.
What is the InChIKey of 4-diethylphosphoryl-N-(2-methylpropyl)-2-(trideuteriomethoxy)aniline?
The InChIKey is QHVHILLKECZVCU-VPYROQPTSA-N. The full InChI is InChI=1S/C15H26NO2P/c1-6-19(17,7-2)13-8-9-14(15(10-13)18-5)16-11-12(3)4/h8-10,12,16H,6-7,11H2,1-5H3/i5D3.
What are the key properties of 4-diethylphosphoryl-N-(2-methylpropyl)-2-(trideuteriomethoxy)aniline?
4-diethylphosphoryl-N-(2-methylpropyl)-2-(trideuteriomethoxy)aniline has a molecular weight of 286.37 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diethylphosphoryl-N-(2-methylpropyl)-2-(trideuteriomethoxy)aniline is sourced from PubChem (CID 172536041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).