N-diethoxyphosphanylaniline

C10H16NO2P — CID 521336

IUPACN-diethoxyphosphanylaniline
SMILESCCOP(Nc1ccccc1)OCC
InChIInChI=1S/C10H16NO2P/c1-3-12-14(13-4-2)11-10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3
InChIKeyAOSDIQRAKHSDQA-UHFFFAOYSA-N
MW213.22 g/mol
LogP3.40
Rot. Bonds6

About N-diethoxyphosphanylaniline

N-diethoxyphosphanylaniline (PubChem CID 521336) has the molecular formula C10H16NO2P and a molecular weight of 213.22 g/mol. Its IUPAC name is N-diethoxyphosphanylaniline.

Molecular Properties

Compound NameN-diethoxyphosphanylaniline
PubChem CID521336
Molecular FormulaC10H16NO2P
Molecular Weight213.22 g/mol
Exact Mass213.09
IUPAC NameN-diethoxyphosphanylaniline
SMILESCCOP(Nc1ccccc1)OCC
InChIInChI=1S/C10H16NO2P/c1-3-12-14(13-4-2)11-10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3
InChIKeyAOSDIQRAKHSDQA-UHFFFAOYSA-N
XLogP3.40
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.22
LogP ≤ 53.40
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

ethane;ethoxy(phenyl)phosphinous acid
CID 145394359
diethyl hydrogen phosphite;toluene
CID 162138652
benzyl(diethoxy)phosphane
CID 13274714
magnesium;N-ethylaniline;dibromide
CID 175384218
sodium ethoxy(phenyl)phosphinite
CID 23703386
N-sulfanyloxyaniline
CID 141339499
diethyl oxalate;N-phenylaniline
CID 174415380
(2-bromophenyl)-ethoxy-methylphosphane
CID 139474536
N-(2-diethoxysilylpropyl)aniline
CID 154345084
butane;ethane;N-methylaniline
CID 143420786
N-propylaniline
CID 12153
N-[2-(2-ethoxyethoxy)ethyl]aniline
CID 23009140

Frequently Asked Questions

What is the IUPAC name of N-diethoxyphosphanylaniline?
The IUPAC name of N-diethoxyphosphanylaniline (CID 521336) is N-diethoxyphosphanylaniline.
What is the SMILES notation for N-diethoxyphosphanylaniline?
The canonical SMILES for N-diethoxyphosphanylaniline is CCOP(Nc1ccccc1)OCC.
What is the InChIKey of N-diethoxyphosphanylaniline?
The InChIKey is AOSDIQRAKHSDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16NO2P/c1-3-12-14(13-4-2)11-10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3.
What are the key properties of N-diethoxyphosphanylaniline?
N-diethoxyphosphanylaniline has a molecular weight of 213.22 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-diethoxyphosphanylaniline is sourced from PubChem (CID 521336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).