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

C13H21NO4 — CID 113426736

IUPAC2-ethoxy-4-[2-(2-methoxyethoxy)ethoxy]aniline
SMILESCCOc1cc(OCCOCCOC)ccc1N
InChIInChI=1S/C13H21NO4/c1-3-17-13-10-11(4-5-12(13)14)18-9-8-16-7-6-15-2/h4-5,10H,3,6-9,14H2,1-2H3
InChIKeyMICVNTNSWKQLDA-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.71
Rot. Bonds9

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

2-ethoxy-4-[2-(2-methoxyethoxy)ethoxy]aniline (PubChem CID 113426736) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-ethoxy-4-[2-(2-methoxyethoxy)ethoxy]aniline.

Molecular Properties

Compound Name2-ethoxy-4-[2-(2-methoxyethoxy)ethoxy]aniline
PubChem CID113426736
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name2-ethoxy-4-[2-(2-methoxyethoxy)ethoxy]aniline
SMILESCCOc1cc(OCCOCCOC)ccc1N
InChIInChI=1S/C13H21NO4/c1-3-17-13-10-11(4-5-12(13)14)18-9-8-16-7-6-15-2/h4-5,10H,3,6-9,14H2,1-2H3
InChIKeyMICVNTNSWKQLDA-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
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'}

Analyze 2-ethoxy-4-[2-(2-methoxyethoxy)ethoxy]aniline 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

4-[2-(2-methoxyethoxy)ethoxy]-2-propan-2-yloxyaniline
CID 104560013
2-ethoxy-4-propoxyaniline
CID 63677806
2-(4-amino-3-ethoxyphenoxy)ethanol
CID 21422991
2-ethoxy-4-pentoxyaniline
CID 63678215
4-(3-methoxypropoxy)-2-propoxyaniline
CID 63676543
2-ethoxy-4-(3-methoxy-3-methylbutoxy)aniline
CID 106664929
4-(2-cyclopropylethoxy)-2-ethoxyaniline
CID 106199653
2-ethoxy-4-(4-methoxyphenoxy)aniline
CID 63675944
2-amino-5-(2-methoxyethoxy)benzoic acid
CID 12719199
4-bromo-2-[3-(2-methoxyethoxy)propoxy]aniline
CID 103400937
4-(cyclopentylmethoxy)-2-ethoxyaniline
CID 66324490
2-ethoxy-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)aniline
CID 102721653

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[2-(2-methoxyethoxy)ethoxy]aniline?
The IUPAC name of 2-ethoxy-4-[2-(2-methoxyethoxy)ethoxy]aniline (CID 113426736) is 2-ethoxy-4-[2-(2-methoxyethoxy)ethoxy]aniline.
What is the SMILES notation for 2-ethoxy-4-[2-(2-methoxyethoxy)ethoxy]aniline?
The canonical SMILES for 2-ethoxy-4-[2-(2-methoxyethoxy)ethoxy]aniline is CCOc1cc(OCCOCCOC)ccc1N.
What is the InChIKey of 2-ethoxy-4-[2-(2-methoxyethoxy)ethoxy]aniline?
The InChIKey is MICVNTNSWKQLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-3-17-13-10-11(4-5-12(13)14)18-9-8-16-7-6-15-2/h4-5,10H,3,6-9,14H2,1-2H3.
What are the key properties of 2-ethoxy-4-[2-(2-methoxyethoxy)ethoxy]aniline?
2-ethoxy-4-[2-(2-methoxyethoxy)ethoxy]aniline has a molecular weight of 255.31 g/mol, XLogP of 1.71, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[2-(2-methoxyethoxy)ethoxy]aniline is sourced from PubChem (CID 113426736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).