5-[2-(4-ethylphenoxy)ethoxy]-2-methylaniline

C17H21NO2 — CID 39371068

IUPAC5-[2-(4-ethylphenoxy)ethoxy]-2-methylaniline
SMILESCCc1ccc(OCCOc2ccc(C)c(N)c2)cc1
InChIInChI=1S/C17H21NO2/c1-3-14-5-8-15(9-6-14)19-10-11-20-16-7-4-13(2)17(18)12-16/h4-9,12H,3,10-11,18H2,1-2H3
InChIKeyJZMWJJSLZNEMLI-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.60
Rot. Bonds6

About 5-[2-(4-ethylphenoxy)ethoxy]-2-methylaniline

5-[2-(4-ethylphenoxy)ethoxy]-2-methylaniline (PubChem CID 39371068) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 5-[2-(4-ethylphenoxy)ethoxy]-2-methylaniline.

Molecular Properties

Compound Name5-[2-(4-ethylphenoxy)ethoxy]-2-methylaniline
PubChem CID39371068
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name5-[2-(4-ethylphenoxy)ethoxy]-2-methylaniline
SMILESCCc1ccc(OCCOc2ccc(C)c(N)c2)cc1
InChIInChI=1S/C17H21NO2/c1-3-14-5-8-15(9-6-14)19-10-11-20-16-7-4-13(2)17(18)12-16/h4-9,12H,3,10-11,18H2,1-2H3
InChIKeyJZMWJJSLZNEMLI-UHFFFAOYSA-N
XLogP3.60
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[2-(4-ethylphenoxy)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

5-[3-(4-ethylphenoxy)propoxy]-2-methylaniline
CID 82097172
2-methyl-5-[4-(4-methylphenoxy)butoxy]aniline
CID 82097286
5-[3-(4-methoxyphenoxy)propoxy]-2-methylaniline
CID 82097177
5-[3-(3,5-dimethylphenoxy)propoxy]-2-methylaniline
CID 82097173
5-(3-ethylsulfonylpropoxy)-2-methylaniline
CID 114252472
2-methyl-5-[3-[4-(2-methylbutan-2-yl)phenoxy]propoxy]aniline
CID 82097183
5-[(4-aminophenoxy)methoxy]-2-methylaniline
CID 146356078
5-(4-ethylphenyl)-2-methylaniline
CID 61025757
1,3-bis[2-[2-(4-ethylphenoxy)ethoxy]ethoxy]benzene
CID 102046454
2-methyl-5-[3-(2,3,6-trimethylphenoxy)propoxy]aniline
CID 82097182
5-[2-(2,6-dimethoxyphenoxy)ethoxy]-2-methylaniline
CID 39427302
5-[3-(2,5-dimethylphenoxy)propoxy]-2-methylaniline
CID 82097167

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-ethylphenoxy)ethoxy]-2-methylaniline?
The IUPAC name of 5-[2-(4-ethylphenoxy)ethoxy]-2-methylaniline (CID 39371068) is 5-[2-(4-ethylphenoxy)ethoxy]-2-methylaniline.
What is the SMILES notation for 5-[2-(4-ethylphenoxy)ethoxy]-2-methylaniline?
The canonical SMILES for 5-[2-(4-ethylphenoxy)ethoxy]-2-methylaniline is CCc1ccc(OCCOc2ccc(C)c(N)c2)cc1.
What is the InChIKey of 5-[2-(4-ethylphenoxy)ethoxy]-2-methylaniline?
The InChIKey is JZMWJJSLZNEMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-3-14-5-8-15(9-6-14)19-10-11-20-16-7-4-13(2)17(18)12-16/h4-9,12H,3,10-11,18H2,1-2H3.
What are the key properties of 5-[2-(4-ethylphenoxy)ethoxy]-2-methylaniline?
5-[2-(4-ethylphenoxy)ethoxy]-2-methylaniline has a molecular weight of 271.36 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-ethylphenoxy)ethoxy]-2-methylaniline is sourced from PubChem (CID 39371068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).