ethoxyethane;2-ethyl-N-phosphanylperoxyaniline

C12H22NO3P — CID 160687217

IUPACethoxyethane;2-ethyl-N-phosphanylperoxyaniline
SMILESCCOCC.CCc1ccccc1NOOP
InChIInChI=1S/C8H12NO2P.C4H10O/c1-2-7-5-3-4-6-8(7)9-10-11-12;1-3-5-4-2/h3-6,9H,2,12H2,1H3;3-4H2,1-2H3
InChIKeyROXPRLAELXZYMV-UHFFFAOYSA-N
MW259.29 g/mol
LogP3.36
Rot. Bonds6

About ethoxyethane;2-ethyl-N-phosphanylperoxyaniline

ethoxyethane;2-ethyl-N-phosphanylperoxyaniline (PubChem CID 160687217) has the molecular formula C12H22NO3P and a molecular weight of 259.29 g/mol. Its IUPAC name is ethoxyethane;2-ethyl-N-phosphanylperoxyaniline.

Molecular Properties

Compound Nameethoxyethane;2-ethyl-N-phosphanylperoxyaniline
PubChem CID160687217
Molecular FormulaC12H22NO3P
Molecular Weight259.29 g/mol
Exact Mass259.13
IUPAC Nameethoxyethane;2-ethyl-N-phosphanylperoxyaniline
SMILESCCOCC.CCc1ccccc1NOOP
InChIInChI=1S/C8H12NO2P.C4H10O/c1-2-7-5-3-4-6-8(7)9-10-11-12;1-3-5-4-2/h3-6,9H,2,12H2,1H3;3-4H2,1-2H3
InChIKeyROXPRLAELXZYMV-UHFFFAOYSA-N
XLogP3.36
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-ethoxy-3-(2-ethylanilino)propan-2-ol
CID 63934398
N-(2-ethylphenyl)methanethioamide
CID 21063997
N-[(2-aminophenyl)methoxy]-2-ethylaniline
CID 154966075
N-[2-(ethoxymethyl)phenyl]-2-methoxypropanamide
CID 112686280
1-N,1-N'-bis(2-ethylphenyl)ethane-1,1-diamine
CID 129291272
2-ethyl-N-[(2-ethylphenyl)methyl]aniline
CID 55197677
2-(ethoxymethyl)-N-ethylaniline
CID 43750443
1-(2-ethoxyethoxy)-3-(2-ethylanilino)propan-2-ol
CID 60900499
ethyl 2-(2-ethylanilino)acetate
CID 28583397
4-(2-ethylanilino)benzenethiol
CID 166755248
2-ethyl-N-[(Z)-propylideneamino]aniline
CID 144945326
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;2-ethyl-N-phosphanylperoxyaniline?
The IUPAC name of ethoxyethane;2-ethyl-N-phosphanylperoxyaniline (CID 160687217) is ethoxyethane;2-ethyl-N-phosphanylperoxyaniline.
What is the SMILES notation for ethoxyethane;2-ethyl-N-phosphanylperoxyaniline?
The canonical SMILES for ethoxyethane;2-ethyl-N-phosphanylperoxyaniline is CCOCC.CCc1ccccc1NOOP.
What is the InChIKey of ethoxyethane;2-ethyl-N-phosphanylperoxyaniline?
The InChIKey is ROXPRLAELXZYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12NO2P.C4H10O/c1-2-7-5-3-4-6-8(7)9-10-11-12;1-3-5-4-2/h3-6,9H,2,12H2,1H3;3-4H2,1-2H3.
What are the key properties of ethoxyethane;2-ethyl-N-phosphanylperoxyaniline?
ethoxyethane;2-ethyl-N-phosphanylperoxyaniline has a molecular weight of 259.29 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;2-ethyl-N-phosphanylperoxyaniline is sourced from PubChem (CID 160687217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).