4-methyl-2-[2-(2-methylphenoxy)ethoxy]aniline

C16H19NO2 — CID 39359276

IUPAC4-methyl-2-[2-(2-methylphenoxy)ethoxy]aniline
SMILESCc1ccc(N)c(OCCOc2ccccc2C)c1
InChIInChI=1S/C16H19NO2/c1-12-7-8-14(17)16(11-12)19-10-9-18-15-6-4-3-5-13(15)2/h3-8,11H,9-10,17H2,1-2H3
InChIKeyWTKNNSYKZAUQQR-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.34
Rot. Bonds5

About 4-methyl-2-[2-(2-methylphenoxy)ethoxy]aniline

4-methyl-2-[2-(2-methylphenoxy)ethoxy]aniline (PubChem CID 39359276) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-methyl-2-[2-(2-methylphenoxy)ethoxy]aniline.

Molecular Properties

Compound Name4-methyl-2-[2-(2-methylphenoxy)ethoxy]aniline
PubChem CID39359276
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name4-methyl-2-[2-(2-methylphenoxy)ethoxy]aniline
SMILESCc1ccc(N)c(OCCOc2ccccc2C)c1
InChIInChI=1S/C16H19NO2/c1-12-7-8-14(17)16(11-12)19-10-9-18-15-6-4-3-5-13(15)2/h3-8,11H,9-10,17H2,1-2H3
InChIKeyWTKNNSYKZAUQQR-UHFFFAOYSA-N
XLogP3.34
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.34
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'}

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Related Compounds

4-methyl-2-propoxyaniline
CID 24698653
2-methyl-4-[2-(2-methylphenoxy)ethoxy]aniline
CID 39359285
[2-[2-(2-amino-5-methylphenoxy)ethoxy]anilino]methanol
CID 126570860
4-methyl-2-(2-propoxyethoxy)aniline
CID 26189548
2-[2-(2,6-dichlorophenoxy)ethoxy]-4-methylaniline
CID 39452119
2-(3-methoxypropoxy)-4-methylaniline
CID 26189547
4-methyl-2-[2-(2-methylphenoxy)ethoxy]benzoic acid
CID 60651665
2-[2-(2,3-dimethylphenoxy)ethoxy]-5-methylaniline
CID 39371046
2-[2-(4-methylphenoxy)ethoxy]aniline
CID 23010232
2-(fluoromethoxy)-4-methylaniline
CID 123529275
3-(2-amino-5-methylphenoxy)propanoic acid
CID 63948473
2-[2-(4-bromo-2-methylphenoxy)ethoxy]aniline
CID 63216601

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-(2-methylphenoxy)ethoxy]aniline?
The IUPAC name of 4-methyl-2-[2-(2-methylphenoxy)ethoxy]aniline (CID 39359276) is 4-methyl-2-[2-(2-methylphenoxy)ethoxy]aniline.
What is the SMILES notation for 4-methyl-2-[2-(2-methylphenoxy)ethoxy]aniline?
The canonical SMILES for 4-methyl-2-[2-(2-methylphenoxy)ethoxy]aniline is Cc1ccc(N)c(OCCOc2ccccc2C)c1.
What is the InChIKey of 4-methyl-2-[2-(2-methylphenoxy)ethoxy]aniline?
The InChIKey is WTKNNSYKZAUQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-12-7-8-14(17)16(11-12)19-10-9-18-15-6-4-3-5-13(15)2/h3-8,11H,9-10,17H2,1-2H3.
What are the key properties of 4-methyl-2-[2-(2-methylphenoxy)ethoxy]aniline?
4-methyl-2-[2-(2-methylphenoxy)ethoxy]aniline has a molecular weight of 257.33 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-(2-methylphenoxy)ethoxy]aniline is sourced from PubChem (CID 39359276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).