2-amino-6-(4-methoxyphenyl)benzonitrile

C14H12N2O — CID 146018328

IUPAC2-amino-6-(4-methoxyphenyl)benzonitrile
SMILESCOc1ccc(-c2cccc(N)c2C#N)cc1
InChIInChI=1S/C14H12N2O/c1-17-11-7-5-10(6-8-11)12-3-2-4-14(16)13(12)9-15/h2-8H,16H2,1H3
InChIKeyOCGQNCFIIFNQFS-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.82
Rot. Bonds2

About 2-amino-6-(4-methoxyphenyl)benzonitrile

2-amino-6-(4-methoxyphenyl)benzonitrile (PubChem CID 146018328) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-amino-6-(4-methoxyphenyl)benzonitrile.

Molecular Properties

Compound Name2-amino-6-(4-methoxyphenyl)benzonitrile
PubChem CID146018328
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name2-amino-6-(4-methoxyphenyl)benzonitrile
SMILESCOc1ccc(-c2cccc(N)c2C#N)cc1
InChIInChI=1S/C14H12N2O/c1-17-11-7-5-10(6-8-11)12-3-2-4-14(16)13(12)9-15/h2-8H,16H2,1H3
InChIKeyOCGQNCFIIFNQFS-UHFFFAOYSA-N
XLogP2.82
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-(4-methoxyphenyl)furan-3-carbonitrile
CID 69209744
3-(4-methoxyphenyl)-2-(2-methylprop-1-enyl)aniline
CID 10377586
2-amino-6-(2-methylphenyl)benzonitrile
CID 175804845
2-(4-methoxyphenyl)-6-methylaniline
CID 172649945
2-amino-6-tert-butyl-4-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 17384299
2-amino-6-(4-methoxyphenyl)pyridine-3,4,5-tricarbonitrile
CID 12736666
3-amino-4-(4-methoxyphenyl)thiophene-2-carbonitrile
CID 82115667
2-amino-6-(3-methoxyphenyl)-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 5119909
1-benzyl-4-(4-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 56598065
2-amino-4-(4-methoxyphenyl)-6-pyridin-4-ylpyridine-3-carbonitrile
CID 4636662
2-[4-(4-methoxyphenyl)phenoxy]-6-methylbenzonitrile
CID 59383233
2-amino-4-(3-fluorophenyl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 3369926

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-methoxyphenyl)benzonitrile?
The IUPAC name of 2-amino-6-(4-methoxyphenyl)benzonitrile (CID 146018328) is 2-amino-6-(4-methoxyphenyl)benzonitrile.
What is the SMILES notation for 2-amino-6-(4-methoxyphenyl)benzonitrile?
The canonical SMILES for 2-amino-6-(4-methoxyphenyl)benzonitrile is COc1ccc(-c2cccc(N)c2C#N)cc1.
What is the InChIKey of 2-amino-6-(4-methoxyphenyl)benzonitrile?
The InChIKey is OCGQNCFIIFNQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-17-11-7-5-10(6-8-11)12-3-2-4-14(16)13(12)9-15/h2-8H,16H2,1H3.
What are the key properties of 2-amino-6-(4-methoxyphenyl)benzonitrile?
2-amino-6-(4-methoxyphenyl)benzonitrile has a molecular weight of 224.26 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(4-methoxyphenyl)benzonitrile is sourced from PubChem (CID 146018328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).