4-(4-aminophenoxy)-3-phenylaniline

C18H16N2O — CID 52915458

IUPAC4-(4-aminophenoxy)-3-phenylaniline
SMILESNc1ccc(Oc2ccc(N)cc2-c2ccccc2)cc1
InChIInChI=1S/C18H16N2O/c19-14-6-9-16(10-7-14)21-18-11-8-15(20)12-17(18)13-4-2-1-3-5-13/h1-12H,19-20H2
InChIKeyMXVHUTKGCQIBCD-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.31
Rot. Bonds3

About 4-(4-aminophenoxy)-3-phenylaniline

4-(4-aminophenoxy)-3-phenylaniline (PubChem CID 52915458) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-(4-aminophenoxy)-3-phenylaniline.

Molecular Properties

Compound Name4-(4-aminophenoxy)-3-phenylaniline
PubChem CID52915458
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name4-(4-aminophenoxy)-3-phenylaniline
SMILESNc1ccc(Oc2ccc(N)cc2-c2ccccc2)cc1
InChIInChI=1S/C18H16N2O/c19-14-6-9-16(10-7-14)21-18-11-8-15(20)12-17(18)13-4-2-1-3-5-13/h1-12H,19-20H2
InChIKeyMXVHUTKGCQIBCD-UHFFFAOYSA-N
XLogP4.31
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.31
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)-3-phenylaniline?
The IUPAC name of 4-(4-aminophenoxy)-3-phenylaniline (CID 52915458) is 4-(4-aminophenoxy)-3-phenylaniline.
What is the SMILES notation for 4-(4-aminophenoxy)-3-phenylaniline?
The canonical SMILES for 4-(4-aminophenoxy)-3-phenylaniline is Nc1ccc(Oc2ccc(N)cc2-c2ccccc2)cc1.
What is the InChIKey of 4-(4-aminophenoxy)-3-phenylaniline?
The InChIKey is MXVHUTKGCQIBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c19-14-6-9-16(10-7-14)21-18-11-8-15(20)12-17(18)13-4-2-1-3-5-13/h1-12H,19-20H2.
What are the key properties of 4-(4-aminophenoxy)-3-phenylaniline?
4-(4-aminophenoxy)-3-phenylaniline has a molecular weight of 276.34 g/mol, XLogP of 4.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenoxy)-3-phenylaniline is sourced from PubChem (CID 52915458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).