4-(2-amino-5-phenylphenoxy)benzonitrile

C19H14N2O — CID 58496520

IUPAC4-(2-amino-5-phenylphenoxy)benzonitrile
SMILESN#Cc1ccc(Oc2cc(-c3ccccc3)ccc2N)cc1
InChIInChI=1S/C19H14N2O/c20-13-14-6-9-17(10-7-14)22-19-12-16(8-11-18(19)21)15-4-2-1-3-5-15/h1-12H,21H2
InChIKeyDDWVCQKIUUQKQW-UHFFFAOYSA-N
MW286.33 g/mol
LogP4.60
Rot. Bonds3

About 4-(2-amino-5-phenylphenoxy)benzonitrile

4-(2-amino-5-phenylphenoxy)benzonitrile (PubChem CID 58496520) has the molecular formula C19H14N2O and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-(2-amino-5-phenylphenoxy)benzonitrile.

Molecular Properties

Compound Name4-(2-amino-5-phenylphenoxy)benzonitrile
PubChem CID58496520
Molecular FormulaC19H14N2O
Molecular Weight286.33 g/mol
Exact Mass286.11
IUPAC Name4-(2-amino-5-phenylphenoxy)benzonitrile
SMILESN#Cc1ccc(Oc2cc(-c3ccccc3)ccc2N)cc1
InChIInChI=1S/C19H14N2O/c20-13-14-6-9-17(10-7-14)22-19-12-16(8-11-18(19)21)15-4-2-1-3-5-15/h1-12H,21H2
InChIKeyDDWVCQKIUUQKQW-UHFFFAOYSA-N
XLogP4.60
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 54.60
H-Bond Donors ≤ 51
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-(2-amino-5-phenylphenoxy)benzonitrile?
The IUPAC name of 4-(2-amino-5-phenylphenoxy)benzonitrile (CID 58496520) is 4-(2-amino-5-phenylphenoxy)benzonitrile.
What is the SMILES notation for 4-(2-amino-5-phenylphenoxy)benzonitrile?
The canonical SMILES for 4-(2-amino-5-phenylphenoxy)benzonitrile is N#Cc1ccc(Oc2cc(-c3ccccc3)ccc2N)cc1.
What is the InChIKey of 4-(2-amino-5-phenylphenoxy)benzonitrile?
The InChIKey is DDWVCQKIUUQKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O/c20-13-14-6-9-17(10-7-14)22-19-12-16(8-11-18(19)21)15-4-2-1-3-5-15/h1-12H,21H2.
What are the key properties of 4-(2-amino-5-phenylphenoxy)benzonitrile?
4-(2-amino-5-phenylphenoxy)benzonitrile has a molecular weight of 286.33 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-5-phenylphenoxy)benzonitrile is sourced from PubChem (CID 58496520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).