2-amino-3-(2-methoxyphenoxy)benzonitrile

C14H12N2O2 — CID 104717142

IUPAC2-amino-3-(2-methoxyphenoxy)benzonitrile
SMILESCOc1ccccc1Oc1cccc(C#N)c1N
InChIInChI=1S/C14H12N2O2/c1-17-11-6-2-3-7-12(11)18-13-8-4-5-10(9-15)14(13)16/h2-8H,16H2,1H3
InChIKeyJDMAHNBAAVNZON-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.94
Rot. Bonds3

About 2-amino-3-(2-methoxyphenoxy)benzonitrile

2-amino-3-(2-methoxyphenoxy)benzonitrile (PubChem CID 104717142) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-amino-3-(2-methoxyphenoxy)benzonitrile.

Molecular Properties

Compound Name2-amino-3-(2-methoxyphenoxy)benzonitrile
PubChem CID104717142
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name2-amino-3-(2-methoxyphenoxy)benzonitrile
SMILESCOc1ccccc1Oc1cccc(C#N)c1N
InChIInChI=1S/C14H12N2O2/c1-17-11-6-2-3-7-12(11)18-13-8-4-5-10(9-15)14(13)16/h2-8H,16H2,1H3
InChIKeyJDMAHNBAAVNZON-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'}

Analyze 2-amino-3-(2-methoxyphenoxy)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-3-(3,5-dimethoxyphenoxy)benzonitrile
CID 104717214
2-amino-3-(2-chlorophenoxy)benzonitrile
CID 104717133
2-(5-amino-2-methoxyphenoxy)benzonitrile
CID 43363978
N-[2-(2-amino-3-cyanophenoxy)phenyl]acetamide
CID 104717151
2-amino-3-(2,3,5-trimethylphenoxy)benzonitrile
CID 104717183
2-(2-amino-3-chlorophenoxy)benzonitrile
CID 104834949
4-(2-amino-3-cyanophenoxy)benzamide
CID 104717169
2-amino-3-ethoxybenzonitrile
CID 82014474
2-amino-3-(3-tert-butylphenoxy)benzonitrile
CID 104717204
2-(4-amino-3-methoxyphenoxy)benzonitrile
CID 63677591
2-(2-cyanophenoxy)benzonitrile
CID 13435570
2-amino-3-[(2-methoxyphenyl)methylamino]benzonitrile
CID 104716155

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-methoxyphenoxy)benzonitrile?
The IUPAC name of 2-amino-3-(2-methoxyphenoxy)benzonitrile (CID 104717142) is 2-amino-3-(2-methoxyphenoxy)benzonitrile.
What is the SMILES notation for 2-amino-3-(2-methoxyphenoxy)benzonitrile?
The canonical SMILES for 2-amino-3-(2-methoxyphenoxy)benzonitrile is COc1ccccc1Oc1cccc(C#N)c1N.
What is the InChIKey of 2-amino-3-(2-methoxyphenoxy)benzonitrile?
The InChIKey is JDMAHNBAAVNZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-17-11-6-2-3-7-12(11)18-13-8-4-5-10(9-15)14(13)16/h2-8H,16H2,1H3.
What are the key properties of 2-amino-3-(2-methoxyphenoxy)benzonitrile?
2-amino-3-(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-amino-3-(2-methoxyphenoxy)benzonitrile is sourced from PubChem (CID 104717142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).