N-ethyl-4-(2-ethylperoxyethyl)aniline

C12H19NO2 — CID 89031975

IUPACN-ethyl-4-(2-ethylperoxyethyl)aniline
SMILESCCNc1ccc(CCOOCC)cc1
InChIInChI=1S/C12H19NO2/c1-3-13-12-7-5-11(6-8-12)9-10-15-14-4-2/h5-8,13H,3-4,9-10H2,1-2H3
InChIKeyJYMWAMVEEVFLJN-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.63
Rot. Bonds7

About N-ethyl-4-(2-ethylperoxyethyl)aniline

N-ethyl-4-(2-ethylperoxyethyl)aniline (PubChem CID 89031975) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is N-ethyl-4-(2-ethylperoxyethyl)aniline.

Molecular Properties

Compound NameN-ethyl-4-(2-ethylperoxyethyl)aniline
PubChem CID89031975
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC NameN-ethyl-4-(2-ethylperoxyethyl)aniline
SMILESCCNc1ccc(CCOOCC)cc1
InChIInChI=1S/C12H19NO2/c1-3-13-12-7-5-11(6-8-12)9-10-15-14-4-2/h5-8,13H,3-4,9-10H2,1-2H3
InChIKeyJYMWAMVEEVFLJN-UHFFFAOYSA-N
XLogP2.63
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-propyl-4-[2-[2-(4-propylphenyl)ethylperoxy]ethyl]benzene
CID 174424801
[4-(ethylamino)phenyl]methyl hypoiodite
CID 129098475
N,4-diethylaniline
CID 6429431
1-(2-ethylperoxyethyl)-4-ethylsulfanylbenzene
CID 87085267
N-ethyl-4-nonylaniline
CID 154108619
1-(2-ethylperoxyethyl)-4-ethylsulfonylbenzene
CID 87085296
4-(ethoxymethyl)-N-ethylaniline;molecular hydrogen
CID 145302198
4-(2-ethoxyethoxy)-N-ethylaniline
CID 54801151
N-(propoxymethyl)-4-propylaniline
CID 162035789
1-N-ethyl-4-N-(2-phenylethyl)benzene-1,4-diamine
CID 83962401
5-[4-(ethylamino)phenyl]pentan-2-one
CID 71063356
4-(2-chloroethyl)-N-(2-ethoxyethyl)aniline
CID 65024049

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-ethylperoxyethyl)aniline?
The IUPAC name of N-ethyl-4-(2-ethylperoxyethyl)aniline (CID 89031975) is N-ethyl-4-(2-ethylperoxyethyl)aniline.
What is the SMILES notation for N-ethyl-4-(2-ethylperoxyethyl)aniline?
The canonical SMILES for N-ethyl-4-(2-ethylperoxyethyl)aniline is CCNc1ccc(CCOOCC)cc1.
What is the InChIKey of N-ethyl-4-(2-ethylperoxyethyl)aniline?
The InChIKey is JYMWAMVEEVFLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-3-13-12-7-5-11(6-8-12)9-10-15-14-4-2/h5-8,13H,3-4,9-10H2,1-2H3.
What are the key properties of N-ethyl-4-(2-ethylperoxyethyl)aniline?
N-ethyl-4-(2-ethylperoxyethyl)aniline has a molecular weight of 209.29 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-ethylperoxyethyl)aniline is sourced from PubChem (CID 89031975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).