4-ethoxy-3-[2-(2-methoxyethoxy)ethoxymethyl]aniline

C14H23NO4 — CID 104560280

IUPAC4-ethoxy-3-[2-(2-methoxyethoxy)ethoxymethyl]aniline
SMILESCCOc1ccc(N)cc1COCCOCCOC
InChIInChI=1S/C14H23NO4/c1-3-19-14-5-4-13(15)10-12(14)11-18-9-8-17-7-6-16-2/h4-5,10H,3,6-9,11,15H2,1-2H3
InChIKeyGURGXAZILXSNRA-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.85
Rot. Bonds10

About 4-ethoxy-3-[2-(2-methoxyethoxy)ethoxymethyl]aniline

4-ethoxy-3-[2-(2-methoxyethoxy)ethoxymethyl]aniline (PubChem CID 104560280) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 4-ethoxy-3-[2-(2-methoxyethoxy)ethoxymethyl]aniline.

Molecular Properties

Compound Name4-ethoxy-3-[2-(2-methoxyethoxy)ethoxymethyl]aniline
PubChem CID104560280
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name4-ethoxy-3-[2-(2-methoxyethoxy)ethoxymethyl]aniline
SMILESCCOc1ccc(N)cc1COCCOCCOC
InChIInChI=1S/C14H23NO4/c1-3-19-14-5-4-13(15)10-12(14)11-18-9-8-17-7-6-16-2/h4-5,10H,3,6-9,11,15H2,1-2H3
InChIKeyGURGXAZILXSNRA-UHFFFAOYSA-N
XLogP1.85
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-ethoxy-3-(propoxymethyl)aniline
CID 43260240
4-ethoxy-3-(3-pyridin-4-ylpropoxymethyl)aniline
CID 43260207
4-ethoxy-3-(2-pyridin-2-ylethoxymethyl)aniline
CID 43260203
4-ethoxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]aniline
CID 43260074
3-(hexoxymethyl)-4-methoxyaniline
CID 43134692
3-(diethylaminomethyl)-4-ethoxyaniline
CID 12703368
ethyl 3-[5-amino-2-(2-methoxyethoxy)phenyl]propanoate
CID 146676304
2-ethoxy-4-[2-(2-methoxyethoxy)ethoxy]aniline
CID 113426736
3-[(2,5-difluorophenoxy)methyl]-4-ethoxyaniline
CID 63268978
4-ethoxy-3-(oxan-2-ylmethoxymethyl)aniline
CID 43260061
5-amino-2-[2-(2-methoxyethoxy)ethoxy]benzenesulfonamide
CID 104560023
2-[(5-amino-2-ethoxyphenyl)methyl-methylamino]acetamide
CID 43373771

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-[2-(2-methoxyethoxy)ethoxymethyl]aniline?
The IUPAC name of 4-ethoxy-3-[2-(2-methoxyethoxy)ethoxymethyl]aniline (CID 104560280) is 4-ethoxy-3-[2-(2-methoxyethoxy)ethoxymethyl]aniline.
What is the SMILES notation for 4-ethoxy-3-[2-(2-methoxyethoxy)ethoxymethyl]aniline?
The canonical SMILES for 4-ethoxy-3-[2-(2-methoxyethoxy)ethoxymethyl]aniline is CCOc1ccc(N)cc1COCCOCCOC.
What is the InChIKey of 4-ethoxy-3-[2-(2-methoxyethoxy)ethoxymethyl]aniline?
The InChIKey is GURGXAZILXSNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-3-19-14-5-4-13(15)10-12(14)11-18-9-8-17-7-6-16-2/h4-5,10H,3,6-9,11,15H2,1-2H3.
What are the key properties of 4-ethoxy-3-[2-(2-methoxyethoxy)ethoxymethyl]aniline?
4-ethoxy-3-[2-(2-methoxyethoxy)ethoxymethyl]aniline has a molecular weight of 269.34 g/mol, XLogP of 1.85, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-[2-(2-methoxyethoxy)ethoxymethyl]aniline is sourced from PubChem (CID 104560280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).