acetic acid;2-[2-(2-aminophenoxy)ethoxy]aniline

C22H32N2O10 — CID 68531873

IUPACacetic acid;2-[2-(2-aminophenoxy)ethoxy]aniline
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.Nc1ccccc1OCCOc1ccccc1N
InChIInChI=1S/C14H16N2O2.4C2H4O2/c15-11-5-1-3-7-13(11)17-9-10-18-14-8-4-2-6-12(14)16;4*1-2(3)4/h1-8H,9-10,15-16H2;4*1H3,(H,3,4)
InChIKeyGVDWAOJFXFFELP-UHFFFAOYSA-N
MW484.50 g/mol
LogP2.67
Rot. Bonds5

About acetic acid;2-[2-(2-aminophenoxy)ethoxy]aniline

acetic acid;2-[2-(2-aminophenoxy)ethoxy]aniline (PubChem CID 68531873) has the molecular formula C22H32N2O10 and a molecular weight of 484.50 g/mol. Its IUPAC name is acetic acid;2-[2-(2-aminophenoxy)ethoxy]aniline.

Molecular Properties

Compound Nameacetic acid;2-[2-(2-aminophenoxy)ethoxy]aniline
PubChem CID68531873
Molecular FormulaC22H32N2O10
Molecular Weight484.50 g/mol
Exact Mass484.21
IUPAC Nameacetic acid;2-[2-(2-aminophenoxy)ethoxy]aniline
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.Nc1ccccc1OCCOc1ccccc1N
InChIInChI=1S/C14H16N2O2.4C2H4O2/c15-11-5-1-3-7-13(11)17-9-10-18-14-8-4-2-6-12(14)16;4*1-2(3)4/h1-8H,9-10,15-16H2;4*1H3,(H,3,4)
InChIKeyGVDWAOJFXFFELP-UHFFFAOYSA-N
XLogP2.67
TPSA219.70 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.50
LogP ≤ 52.67
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetic acid;2-[2-(2-aminophenoxy)ethoxy]aniline?
The IUPAC name of acetic acid;2-[2-(2-aminophenoxy)ethoxy]aniline (CID 68531873) is acetic acid;2-[2-(2-aminophenoxy)ethoxy]aniline.
What is the SMILES notation for acetic acid;2-[2-(2-aminophenoxy)ethoxy]aniline?
The canonical SMILES for acetic acid;2-[2-(2-aminophenoxy)ethoxy]aniline is CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.Nc1ccccc1OCCOc1ccccc1N.
What is the InChIKey of acetic acid;2-[2-(2-aminophenoxy)ethoxy]aniline?
The InChIKey is GVDWAOJFXFFELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2.4C2H4O2/c15-11-5-1-3-7-13(11)17-9-10-18-14-8-4-2-6-12(14)16;4*1-2(3)4/h1-8H,9-10,15-16H2;4*1H3,(H,3,4).
What are the key properties of acetic acid;2-[2-(2-aminophenoxy)ethoxy]aniline?
acetic acid;2-[2-(2-aminophenoxy)ethoxy]aniline has a molecular weight of 484.50 g/mol, XLogP of 2.67, 5 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-[2-(2-aminophenoxy)ethoxy]aniline is sourced from PubChem (CID 68531873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).