[4-[2-(N-ethylanilino)ethoxy]phenyl]-trimethylazanium

C19H27N2O+ — CID 54226224

IUPAC[4-[2-(N-ethylanilino)ethoxy]phenyl]-trimethylazanium
SMILESCCN(CCOc1ccc([N+](C)(C)C)cc1)c1ccccc1
InChIInChI=1S/C19H27N2O/c1-5-20(17-9-7-6-8-10-17)15-16-22-19-13-11-18(12-14-19)21(2,3)4/h6-14H,5,15-16H2,1-4H3/q+1
InChIKeyQGAWNSFZQDZIAT-UHFFFAOYSA-N
MW299.44 g/mol
LogP3.79
Rot. Bonds7

About [4-[2-(N-ethylanilino)ethoxy]phenyl]-trimethylazanium

[4-[2-(N-ethylanilino)ethoxy]phenyl]-trimethylazanium (PubChem CID 54226224) has the molecular formula C19H27N2O+ and a molecular weight of 299.44 g/mol. Its IUPAC name is [4-[2-(N-ethylanilino)ethoxy]phenyl]-trimethylazanium.

Molecular Properties

Compound Name[4-[2-(N-ethylanilino)ethoxy]phenyl]-trimethylazanium
PubChem CID54226224
Molecular FormulaC19H27N2O+
Molecular Weight299.44 g/mol
Exact Mass299.21
IUPAC Name[4-[2-(N-ethylanilino)ethoxy]phenyl]-trimethylazanium
SMILESCCN(CCOc1ccc([N+](C)(C)C)cc1)c1ccccc1
InChIInChI=1S/C19H27N2O/c1-5-20(17-9-7-6-8-10-17)15-16-22-19-13-11-18(12-14-19)21(2,3)4/h6-14H,5,15-16H2,1-4H3/q+1
InChIKeyQGAWNSFZQDZIAT-UHFFFAOYSA-N
XLogP3.79
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze [4-[2-(N-ethylanilino)ethoxy]phenyl]-trimethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-bromophenoxy)ethyl]-N-ethylaniline
CID 55026790
N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-ethylaniline
CID 43253527
N-[2-(4-chlorophenoxy)ethyl]-N-ethylaniline;oxirane
CID 88818117
4-[2-(N-ethylanilino)ethoxy]-2-methylaniline
CID 39369760
N-(3,4-dimethylphenyl)-N-[4-[4-[2-(N-ethylanilino)ethoxy]phenyl]phenyl]-3,4-dimethylaniline
CID 21019332
N-(4-butoxyphenyl)-N'-ethyl-N'-phenylethane-1,2-diamine
CID 54806162
N-[2-(2-chlorophenoxy)ethyl]-N-ethylaniline
CID 54482087
[4-[2-[N-[2-(4-acetyloxyphenoxy)ethyl]anilino]ethoxy]phenyl] acetate
CID 71736094
N-ethyl-N-[[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]aniline
CID 142915009
N,N-diethylaniline
CID 7061
N-ethyl-2,5-dimethoxy-N-(2-phenoxyethyl)aniline
CID 54211346
N-ethyl-N-(2-iodoethyl)aniline
CID 23460336

Frequently Asked Questions

What is the IUPAC name of [4-[2-(N-ethylanilino)ethoxy]phenyl]-trimethylazanium?
The IUPAC name of [4-[2-(N-ethylanilino)ethoxy]phenyl]-trimethylazanium (CID 54226224) is [4-[2-(N-ethylanilino)ethoxy]phenyl]-trimethylazanium.
What is the SMILES notation for [4-[2-(N-ethylanilino)ethoxy]phenyl]-trimethylazanium?
The canonical SMILES for [4-[2-(N-ethylanilino)ethoxy]phenyl]-trimethylazanium is CCN(CCOc1ccc([N+](C)(C)C)cc1)c1ccccc1.
What is the InChIKey of [4-[2-(N-ethylanilino)ethoxy]phenyl]-trimethylazanium?
The InChIKey is QGAWNSFZQDZIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N2O/c1-5-20(17-9-7-6-8-10-17)15-16-22-19-13-11-18(12-14-19)21(2,3)4/h6-14H,5,15-16H2,1-4H3/q+1.
What are the key properties of [4-[2-(N-ethylanilino)ethoxy]phenyl]-trimethylazanium?
[4-[2-(N-ethylanilino)ethoxy]phenyl]-trimethylazanium has a molecular weight of 299.44 g/mol, XLogP of 3.79, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(N-ethylanilino)ethoxy]phenyl]-trimethylazanium is sourced from PubChem (CID 54226224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).