3-methoxy-5-[2-(2-methoxyethoxy)ethoxymethyl]aniline

C13H21NO4 — CID 104560296

IUPAC3-methoxy-5-[2-(2-methoxyethoxy)ethoxymethyl]aniline
SMILESCOCCOCCOCc1cc(N)cc(OC)c1
InChIInChI=1S/C13H21NO4/c1-15-3-4-17-5-6-18-10-11-7-12(14)9-13(8-11)16-2/h7-9H,3-6,10,14H2,1-2H3
InChIKeyCQZHHWKYRJGISM-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.46
Rot. Bonds9

About 3-methoxy-5-[2-(2-methoxyethoxy)ethoxymethyl]aniline

3-methoxy-5-[2-(2-methoxyethoxy)ethoxymethyl]aniline (PubChem CID 104560296) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 3-methoxy-5-[2-(2-methoxyethoxy)ethoxymethyl]aniline.

Molecular Properties

Compound Name3-methoxy-5-[2-(2-methoxyethoxy)ethoxymethyl]aniline
PubChem CID104560296
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name3-methoxy-5-[2-(2-methoxyethoxy)ethoxymethyl]aniline
SMILESCOCCOCCOCc1cc(N)cc(OC)c1
InChIInChI=1S/C13H21NO4/c1-15-3-4-17-5-6-18-10-11-7-12(14)9-13(8-11)16-2/h7-9H,3-6,10,14H2,1-2H3
InChIKeyCQZHHWKYRJGISM-UHFFFAOYSA-N
XLogP1.46
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.46
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

1-(bromomethyl)-3-methoxy-5-(2-methoxyethoxymethyl)benzene
CID 58005605
butane;3-methoxy-5-(methoxymethyl)aniline
CID 67748962
3-methoxy-5-(1-methoxypropan-2-yloxymethyl)aniline
CID 81149767
1-methoxy-4-[2-(2-methoxyethoxy)ethoxymethyl]benzene
CID 102074732
3-methoxy-5-[(2-methylpropan-2-yl)oxymethyl]aniline
CID 81150835
3-methoxy-5-(2,2,3,3-tetrafluoropropoxymethyl)aniline
CID 81150413
3-(fluoromethyl)-5-methoxyaniline
CID 90226418
N-[[3-methoxy-5-(2-methoxyethoxymethyl)phenyl]methyl]cyclopropanamine
CID 59817672
3-methoxy-5-(2-methylbutan-2-yloxymethyl)aniline
CID 81149908
3-bromo-5-(3-methoxypropoxymethyl)aniline
CID 103350346
3-(cyclopentyloxymethyl)-5-methoxyaniline
CID 81150187
3-bromo-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]aniline
CID 103588205

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-[2-(2-methoxyethoxy)ethoxymethyl]aniline?
The IUPAC name of 3-methoxy-5-[2-(2-methoxyethoxy)ethoxymethyl]aniline (CID 104560296) is 3-methoxy-5-[2-(2-methoxyethoxy)ethoxymethyl]aniline.
What is the SMILES notation for 3-methoxy-5-[2-(2-methoxyethoxy)ethoxymethyl]aniline?
The canonical SMILES for 3-methoxy-5-[2-(2-methoxyethoxy)ethoxymethyl]aniline is COCCOCCOCc1cc(N)cc(OC)c1.
What is the InChIKey of 3-methoxy-5-[2-(2-methoxyethoxy)ethoxymethyl]aniline?
The InChIKey is CQZHHWKYRJGISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-15-3-4-17-5-6-18-10-11-7-12(14)9-13(8-11)16-2/h7-9H,3-6,10,14H2,1-2H3.
What are the key properties of 3-methoxy-5-[2-(2-methoxyethoxy)ethoxymethyl]aniline?
3-methoxy-5-[2-(2-methoxyethoxy)ethoxymethyl]aniline has a molecular weight of 255.31 g/mol, XLogP of 1.46, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-[2-(2-methoxyethoxy)ethoxymethyl]aniline is sourced from PubChem (CID 104560296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).