4-[2-(N-ethylanilino)ethoxy]-2-methylaniline

C17H22N2O — CID 39369760

IUPAC4-[2-(N-ethylanilino)ethoxy]-2-methylaniline
SMILESCCN(CCOc1ccc(N)c(C)c1)c1ccccc1
InChIInChI=1S/C17H22N2O/c1-3-19(15-7-5-4-6-8-15)11-12-20-16-9-10-17(18)14(2)13-16/h4-10,13H,3,11-12,18H2,1-2H3
InChIKeyNQHLALXOFQNWNR-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.48
Rot. Bonds6

About 4-[2-(N-ethylanilino)ethoxy]-2-methylaniline

4-[2-(N-ethylanilino)ethoxy]-2-methylaniline (PubChem CID 39369760) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-[2-(N-ethylanilino)ethoxy]-2-methylaniline.

Molecular Properties

Compound Name4-[2-(N-ethylanilino)ethoxy]-2-methylaniline
PubChem CID39369760
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name4-[2-(N-ethylanilino)ethoxy]-2-methylaniline
SMILESCCN(CCOc1ccc(N)c(C)c1)c1ccccc1
InChIInChI=1S/C17H22N2O/c1-3-19(15-7-5-4-6-8-15)11-12-20-16-9-10-17(18)14(2)13-16/h4-10,13H,3,11-12,18H2,1-2H3
InChIKeyNQHLALXOFQNWNR-UHFFFAOYSA-N
XLogP3.48
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[2-(N-ethylanilino)ethoxy]-2-methylaniline 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-(3,4-dimethylphenyl)-N-[4-[4-[2-(N-ethylanilino)ethoxy]phenyl]phenyl]-3,4-dimethylaniline
CID 21019332
[4-[2-(N-ethylanilino)ethoxy]phenyl]-trimethylazanium
CID 54226224
4-[(N-ethylanilino)methyl]-2-methylaniline
CID 28599045
2-methyl-4-(2-phenylsulfanylethoxy)aniline
CID 79211754
4-(2-aminoethoxy)-2-methylaniline
CID 15870804
2-methyl-4-[2-(2-methylphenoxy)ethoxy]aniline
CID 39359285
N-[2-(4-chlorophenoxy)ethyl]-N-ethylaniline;oxirane
CID 88818117
2-methyl-4-nonoxyaniline
CID 43128997
4-[10-(2-aminophenoxy)decoxy]-2-methylaniline
CID 146356223
4-(2-aminoethoxy)-2-methylaniline;dihydrochloride
CID 164607051

Frequently Asked Questions

What is the IUPAC name of 4-[2-(N-ethylanilino)ethoxy]-2-methylaniline?
The IUPAC name of 4-[2-(N-ethylanilino)ethoxy]-2-methylaniline (CID 39369760) is 4-[2-(N-ethylanilino)ethoxy]-2-methylaniline.
What is the SMILES notation for 4-[2-(N-ethylanilino)ethoxy]-2-methylaniline?
The canonical SMILES for 4-[2-(N-ethylanilino)ethoxy]-2-methylaniline is CCN(CCOc1ccc(N)c(C)c1)c1ccccc1.
What is the InChIKey of 4-[2-(N-ethylanilino)ethoxy]-2-methylaniline?
The InChIKey is NQHLALXOFQNWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-3-19(15-7-5-4-6-8-15)11-12-20-16-9-10-17(18)14(2)13-16/h4-10,13H,3,11-12,18H2,1-2H3.
What are the key properties of 4-[2-(N-ethylanilino)ethoxy]-2-methylaniline?
4-[2-(N-ethylanilino)ethoxy]-2-methylaniline has a molecular weight of 270.38 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(N-ethylanilino)ethoxy]-2-methylaniline is sourced from PubChem (CID 39369760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).