2-(5-amino-2-methoxyphenoxy)benzonitrile

C14H12N2O2 — CID 43363978

IUPAC2-(5-amino-2-methoxyphenoxy)benzonitrile
SMILESCOc1ccc(N)cc1Oc1ccccc1C#N
InChIInChI=1S/C14H12N2O2/c1-17-13-7-6-11(16)8-14(13)18-12-5-3-2-4-10(12)9-15/h2-8H,16H2,1H3
InChIKeyWQMDXRFLMZGRDC-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.94
Rot. Bonds3

About 2-(5-amino-2-methoxyphenoxy)benzonitrile

2-(5-amino-2-methoxyphenoxy)benzonitrile (PubChem CID 43363978) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-(5-amino-2-methoxyphenoxy)benzonitrile.

Molecular Properties

Compound Name2-(5-amino-2-methoxyphenoxy)benzonitrile
PubChem CID43363978
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name2-(5-amino-2-methoxyphenoxy)benzonitrile
SMILESCOc1ccc(N)cc1Oc1ccccc1C#N
InChIInChI=1S/C14H12N2O2/c1-17-13-7-6-11(16)8-14(13)18-12-5-3-2-4-10(12)9-15/h2-8H,16H2,1H3
InChIKeyWQMDXRFLMZGRDC-UHFFFAOYSA-N
XLogP2.94
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(2-methoxyphenoxy)benzonitrile
CID 104717142
2-(2-cyanophenoxy)benzonitrile
CID 13435570
2-(4-amino-3-methoxyphenoxy)benzonitrile
CID 63677591
2-[(4-amino-2-methoxyphenoxy)methyl]benzonitrile
CID 62110948
5-amino-2-(2-tert-butylphenoxy)benzonitrile
CID 61295995
5-amino-2-(2-ethylphenoxy)benzonitrile
CID 61295805
2-(2-amino-5-methylphenoxy)benzonitrile
CID 43363961
5-(5-amino-2-methoxyphenoxy)pyridine-2-carbonitrile
CID 113321406
2-[4-amino-2-(5-methyl-6-oxo-1H-pyridin-3-yl)phenoxy]benzonitrile
CID 90019753
2-[2-(2-methoxyphenoxy)ethoxy]benzonitrile
CID 20987769
4-(4-aminophenoxy)-2-methoxybenzonitrile
CID 89154865
2-(4-chloro-2-methylphenoxy)benzonitrile
CID 29271397

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-methoxyphenoxy)benzonitrile?
The IUPAC name of 2-(5-amino-2-methoxyphenoxy)benzonitrile (CID 43363978) is 2-(5-amino-2-methoxyphenoxy)benzonitrile.
What is the SMILES notation for 2-(5-amino-2-methoxyphenoxy)benzonitrile?
The canonical SMILES for 2-(5-amino-2-methoxyphenoxy)benzonitrile is COc1ccc(N)cc1Oc1ccccc1C#N.
What is the InChIKey of 2-(5-amino-2-methoxyphenoxy)benzonitrile?
The InChIKey is WQMDXRFLMZGRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-17-13-7-6-11(16)8-14(13)18-12-5-3-2-4-10(12)9-15/h2-8H,16H2,1H3.
What are the key properties of 2-(5-amino-2-methoxyphenoxy)benzonitrile?
2-(5-amino-2-methoxyphenoxy)benzonitrile has a molecular weight of 240.26 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-methoxyphenoxy)benzonitrile is sourced from PubChem (CID 43363978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).