3-(3-aminophenyl)-2-phenoxyaniline

C18H16N2O — CID 68785952

IUPAC3-(3-aminophenyl)-2-phenoxyaniline
SMILESNc1cccc(-c2cccc(N)c2Oc2ccccc2)c1
InChIInChI=1S/C18H16N2O/c19-14-7-4-6-13(12-14)16-10-5-11-17(20)18(16)21-15-8-2-1-3-9-15/h1-12H,19-20H2
InChIKeyNQGBSSAOBLGBEE-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.31
Rot. Bonds3

About 3-(3-aminophenyl)-2-phenoxyaniline

3-(3-aminophenyl)-2-phenoxyaniline (PubChem CID 68785952) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-(3-aminophenyl)-2-phenoxyaniline.

Molecular Properties

Compound Name3-(3-aminophenyl)-2-phenoxyaniline
PubChem CID68785952
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name3-(3-aminophenyl)-2-phenoxyaniline
SMILESNc1cccc(-c2cccc(N)c2Oc2ccccc2)c1
InChIInChI=1S/C18H16N2O/c19-14-7-4-6-13(12-14)16-10-5-11-17(20)18(16)21-15-8-2-1-3-9-15/h1-12H,19-20H2
InChIKeyNQGBSSAOBLGBEE-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 3-(3-aminophenyl)-2-phenoxyaniline?
The IUPAC name of 3-(3-aminophenyl)-2-phenoxyaniline (CID 68785952) is 3-(3-aminophenyl)-2-phenoxyaniline.
What is the SMILES notation for 3-(3-aminophenyl)-2-phenoxyaniline?
The canonical SMILES for 3-(3-aminophenyl)-2-phenoxyaniline is Nc1cccc(-c2cccc(N)c2Oc2ccccc2)c1.
What is the InChIKey of 3-(3-aminophenyl)-2-phenoxyaniline?
The InChIKey is NQGBSSAOBLGBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c19-14-7-4-6-13(12-14)16-10-5-11-17(20)18(16)21-15-8-2-1-3-9-15/h1-12H,19-20H2.
What are the key properties of 3-(3-aminophenyl)-2-phenoxyaniline?
3-(3-aminophenyl)-2-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 3-(3-aminophenyl)-2-phenoxyaniline is sourced from PubChem (CID 68785952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).