4-(3-aminophenyl)-3-phenoxyaniline

C18H16N2O — CID 68785686

IUPAC4-(3-aminophenyl)-3-phenoxyaniline
SMILESNc1cccc(-c2ccc(N)cc2Oc2ccccc2)c1
InChIInChI=1S/C18H16N2O/c19-14-6-4-5-13(11-14)17-10-9-15(20)12-18(17)21-16-7-2-1-3-8-16/h1-12H,19-20H2
InChIKeyVUCNXWLDSSPODX-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.31
Rot. Bonds3

About 4-(3-aminophenyl)-3-phenoxyaniline

4-(3-aminophenyl)-3-phenoxyaniline (PubChem CID 68785686) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-(3-aminophenyl)-3-phenoxyaniline.

Molecular Properties

Compound Name4-(3-aminophenyl)-3-phenoxyaniline
PubChem CID68785686
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name4-(3-aminophenyl)-3-phenoxyaniline
SMILESNc1cccc(-c2ccc(N)cc2Oc2ccccc2)c1
InChIInChI=1S/C18H16N2O/c19-14-6-4-5-13(11-14)17-10-9-15(20)12-18(17)21-16-7-2-1-3-8-16/h1-12H,19-20H2
InChIKeyVUCNXWLDSSPODX-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': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminophenyl)-3-phenoxyaniline?
The IUPAC name of 4-(3-aminophenyl)-3-phenoxyaniline (CID 68785686) is 4-(3-aminophenyl)-3-phenoxyaniline.
What is the SMILES notation for 4-(3-aminophenyl)-3-phenoxyaniline?
The canonical SMILES for 4-(3-aminophenyl)-3-phenoxyaniline is Nc1cccc(-c2ccc(N)cc2Oc2ccccc2)c1.
What is the InChIKey of 4-(3-aminophenyl)-3-phenoxyaniline?
The InChIKey is VUCNXWLDSSPODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c19-14-6-4-5-13(11-14)17-10-9-15(20)12-18(17)21-16-7-2-1-3-8-16/h1-12H,19-20H2.
What are the key properties of 4-(3-aminophenyl)-3-phenoxyaniline?
4-(3-aminophenyl)-3-phenoxyaniline 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-(3-aminophenyl)-3-phenoxyaniline is sourced from PubChem (CID 68785686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).