4-[amino(ethoxy)amino]aniline

C8H13N3O — CID 87319186

IUPAC4-[amino(ethoxy)amino]aniline
SMILESCCON(N)c1ccc(N)cc1
InChIInChI=1S/C8H13N3O/c1-2-12-11(10)8-5-3-7(9)4-6-8/h3-6H,2,9-10H2,1H3
InChIKeyHSYLDMBKQKQWBZ-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.90
Rot. Bonds3

About 4-[amino(ethoxy)amino]aniline

4-[amino(ethoxy)amino]aniline (PubChem CID 87319186) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 4-[amino(ethoxy)amino]aniline.

Molecular Properties

Compound Name4-[amino(ethoxy)amino]aniline
PubChem CID87319186
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name4-[amino(ethoxy)amino]aniline
SMILESCCON(N)c1ccc(N)cc1
InChIInChI=1S/C8H13N3O/c1-2-12-11(10)8-5-3-7(9)4-6-8/h3-6H,2,9-10H2,1H3
InChIKeyHSYLDMBKQKQWBZ-UHFFFAOYSA-N
XLogP0.90
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[amino(ethoxy)amino]aniline?
The IUPAC name of 4-[amino(ethoxy)amino]aniline (CID 87319186) is 4-[amino(ethoxy)amino]aniline.
What is the SMILES notation for 4-[amino(ethoxy)amino]aniline?
The canonical SMILES for 4-[amino(ethoxy)amino]aniline is CCON(N)c1ccc(N)cc1.
What is the InChIKey of 4-[amino(ethoxy)amino]aniline?
The InChIKey is HSYLDMBKQKQWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-2-12-11(10)8-5-3-7(9)4-6-8/h3-6H,2,9-10H2,1H3.
What are the key properties of 4-[amino(ethoxy)amino]aniline?
4-[amino(ethoxy)amino]aniline has a molecular weight of 167.21 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino(ethoxy)amino]aniline is sourced from PubChem (CID 87319186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).