4-(4-aminophenoxy)aniline

C12H12N2O — CID 7579

IUPAC4-(4-aminophenoxy)aniline
SMILESNc1ccc(Oc2ccc(N)cc2)cc1
InChIInChI=1S/C12H12N2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,13-14H2
InChIKeyHLBLWEWZXPIGSM-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.64
Rot. Bonds2

About 4-(4-aminophenoxy)aniline

4-(4-aminophenoxy)aniline (PubChem CID 7579) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 4-(4-aminophenoxy)aniline.

Molecular Properties

Compound Name4-(4-aminophenoxy)aniline
PubChem CID7579
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name4-(4-aminophenoxy)aniline
SMILESNc1ccc(Oc2ccc(N)cc2)cc1
InChIInChI=1S/C12H12N2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,13-14H2
InChIKeyHLBLWEWZXPIGSM-UHFFFAOYSA-N
XLogP2.64
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenoxy)aniline?
The IUPAC name of 4-(4-aminophenoxy)aniline (CID 7579) is 4-(4-aminophenoxy)aniline.
What is the SMILES notation for 4-(4-aminophenoxy)aniline?
The canonical SMILES for 4-(4-aminophenoxy)aniline is Nc1ccc(Oc2ccc(N)cc2)cc1.
What is the InChIKey of 4-(4-aminophenoxy)aniline?
The InChIKey is HLBLWEWZXPIGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,13-14H2.
What are the key properties of 4-(4-aminophenoxy)aniline?
4-(4-aminophenoxy)aniline has a molecular weight of 200.24 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenoxy)aniline is sourced from PubChem (CID 7579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).