4-(2-phenylphenoxy)aniline

C18H15NO — CID 902705

IUPAC4-(2-phenylphenoxy)aniline
SMILESNc1ccc(Oc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C18H15NO/c19-15-10-12-16(13-11-15)20-18-9-5-4-8-17(18)14-6-2-1-3-7-14/h1-13H,19H2
InChIKeyZWQOXRDNGHWDBS-UHFFFAOYSA-N
MW261.32 g/mol
LogP4.73
Rot. Bonds3

About 4-(2-phenylphenoxy)aniline

4-(2-phenylphenoxy)aniline (PubChem CID 902705) has the molecular formula C18H15NO and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-(2-phenylphenoxy)aniline.

Molecular Properties

Compound Name4-(2-phenylphenoxy)aniline
PubChem CID902705
Molecular FormulaC18H15NO
Molecular Weight261.32 g/mol
Exact Mass261.12
IUPAC Name4-(2-phenylphenoxy)aniline
SMILESNc1ccc(Oc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C18H15NO/c19-15-10-12-16(13-11-15)20-18-9-5-4-8-17(18)14-6-2-1-3-7-14/h1-13H,19H2
InChIKeyZWQOXRDNGHWDBS-UHFFFAOYSA-N
XLogP4.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(2-phenylphenoxy)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylphenoxy)aniline?
The IUPAC name of 4-(2-phenylphenoxy)aniline (CID 902705) is 4-(2-phenylphenoxy)aniline.
What is the SMILES notation for 4-(2-phenylphenoxy)aniline?
The canonical SMILES for 4-(2-phenylphenoxy)aniline is Nc1ccc(Oc2ccccc2-c2ccccc2)cc1.
What is the InChIKey of 4-(2-phenylphenoxy)aniline?
The InChIKey is ZWQOXRDNGHWDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO/c19-15-10-12-16(13-11-15)20-18-9-5-4-8-17(18)14-6-2-1-3-7-14/h1-13H,19H2.
What are the key properties of 4-(2-phenylphenoxy)aniline?
4-(2-phenylphenoxy)aniline has a molecular weight of 261.32 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylphenoxy)aniline is sourced from PubChem (CID 902705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).