5-phenoxy-2-phenyl-1H-indol-7-amine

C20H16N2O — CID 173108757

IUPAC5-phenoxy-2-phenyl-1H-indol-7-amine
SMILESNc1cc(Oc2ccccc2)cc2cc(-c3ccccc3)[nH]c12
InChIInChI=1S/C20H16N2O/c21-18-13-17(23-16-9-5-2-6-10-16)11-15-12-19(22-20(15)18)14-7-3-1-4-8-14/h1-13,22H,21H2
InChIKeyWJMSJIJSILMZJB-UHFFFAOYSA-N
MW300.36 g/mol
LogP5.21
Rot. Bonds3

About 5-phenoxy-2-phenyl-1H-indol-7-amine

5-phenoxy-2-phenyl-1H-indol-7-amine (PubChem CID 173108757) has the molecular formula C20H16N2O and a molecular weight of 300.36 g/mol. Its IUPAC name is 5-phenoxy-2-phenyl-1H-indol-7-amine.

Molecular Properties

Compound Name5-phenoxy-2-phenyl-1H-indol-7-amine
PubChem CID173108757
Molecular FormulaC20H16N2O
Molecular Weight300.36 g/mol
Exact Mass300.13
IUPAC Name5-phenoxy-2-phenyl-1H-indol-7-amine
SMILESNc1cc(Oc2ccccc2)cc2cc(-c3ccccc3)[nH]c12
InChIInChI=1S/C20H16N2O/c21-18-13-17(23-16-9-5-2-6-10-16)11-15-12-19(22-20(15)18)14-7-3-1-4-8-14/h1-13,22H,21H2
InChIKeyWJMSJIJSILMZJB-UHFFFAOYSA-N
XLogP5.21
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.36
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-phenoxy-2-phenyl-1H-indol-7-amine?
The IUPAC name of 5-phenoxy-2-phenyl-1H-indol-7-amine (CID 173108757) is 5-phenoxy-2-phenyl-1H-indol-7-amine.
What is the SMILES notation for 5-phenoxy-2-phenyl-1H-indol-7-amine?
The canonical SMILES for 5-phenoxy-2-phenyl-1H-indol-7-amine is Nc1cc(Oc2ccccc2)cc2cc(-c3ccccc3)[nH]c12.
What is the InChIKey of 5-phenoxy-2-phenyl-1H-indol-7-amine?
The InChIKey is WJMSJIJSILMZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O/c21-18-13-17(23-16-9-5-2-6-10-16)11-15-12-19(22-20(15)18)14-7-3-1-4-8-14/h1-13,22H,21H2.
What are the key properties of 5-phenoxy-2-phenyl-1H-indol-7-amine?
5-phenoxy-2-phenyl-1H-indol-7-amine has a molecular weight of 300.36 g/mol, XLogP of 5.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenoxy-2-phenyl-1H-indol-7-amine is sourced from PubChem (CID 173108757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).