2-(2-amino-5-methylphenoxy)benzonitrile

C14H12N2O — CID 43363961

IUPAC2-(2-amino-5-methylphenoxy)benzonitrile
SMILESCc1ccc(N)c(Oc2ccccc2C#N)c1
InChIInChI=1S/C14H12N2O/c1-10-6-7-12(16)14(8-10)17-13-5-3-2-4-11(13)9-15/h2-8H,16H2,1H3
InChIKeyPKJVKDCSNDGVFF-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.24
Rot. Bonds2

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

2-(2-amino-5-methylphenoxy)benzonitrile (PubChem CID 43363961) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(2-amino-5-methylphenoxy)benzonitrile.

Molecular Properties

Compound Name2-(2-amino-5-methylphenoxy)benzonitrile
PubChem CID43363961
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name2-(2-amino-5-methylphenoxy)benzonitrile
SMILESCc1ccc(N)c(Oc2ccccc2C#N)c1
InChIInChI=1S/C14H12N2O/c1-10-6-7-12(16)14(8-10)17-13-5-3-2-4-11(13)9-15/h2-8H,16H2,1H3
InChIKeyPKJVKDCSNDGVFF-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
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-(2-cyanophenoxy)benzonitrile
CID 13435570
4-amino-3-(2-cyanophenoxy)benzenesulfonamide
CID 82900103
2-(4-amino-3-methoxyphenoxy)benzonitrile
CID 63677591
3-(2-amino-5-methylphenoxy)pyridazine-4-carbonitrile
CID 80514539
4-amino-3-(2,5-dimethylphenoxy)benzonitrile
CID 113444292
2-(2-ethoxyphenoxy)-4-methylaniline
CID 26189556
2-(2-tert-butylphenoxy)-4-methylbenzonitrile
CID 63510539
2-(2,5-dimethylphenoxy)-4-methylbenzonitrile
CID 63511560
2-(2,6-diaminophenoxy)benzonitrile
CID 163217042
2-(5-amino-2-methoxyphenoxy)benzonitrile
CID 43363978
4-(2-aminophenoxy)-5-chlorobenzene-1,2-dicarbonitrile
CID 12978921
4-amino-3-(2-tert-butyl-5-methylphenoxy)benzonitrile
CID 104712581

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-methylphenoxy)benzonitrile?
The IUPAC name of 2-(2-amino-5-methylphenoxy)benzonitrile (CID 43363961) is 2-(2-amino-5-methylphenoxy)benzonitrile.
What is the SMILES notation for 2-(2-amino-5-methylphenoxy)benzonitrile?
The canonical SMILES for 2-(2-amino-5-methylphenoxy)benzonitrile is Cc1ccc(N)c(Oc2ccccc2C#N)c1.
What is the InChIKey of 2-(2-amino-5-methylphenoxy)benzonitrile?
The InChIKey is PKJVKDCSNDGVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-10-6-7-12(16)14(8-10)17-13-5-3-2-4-11(13)9-15/h2-8H,16H2,1H3.
What are the key properties of 2-(2-amino-5-methylphenoxy)benzonitrile?
2-(2-amino-5-methylphenoxy)benzonitrile has a molecular weight of 224.26 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-methylphenoxy)benzonitrile is sourced from PubChem (CID 43363961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).