2-(2-amino-4-methylphenoxy)-6-chlorobenzonitrile

C14H11ClN2O — CID 62497150

IUPAC2-(2-amino-4-methylphenoxy)-6-chlorobenzonitrile
SMILESCc1ccc(Oc2cccc(Cl)c2C#N)c(N)c1
InChIInChI=1S/C14H11ClN2O/c1-9-5-6-14(12(17)7-9)18-13-4-2-3-11(15)10(13)8-16/h2-7H,17H2,1H3
InChIKeyFRDGINSVYZPZKW-UHFFFAOYSA-N
MW258.71 g/mol
LogP3.89
Rot. Bonds2

About 2-(2-amino-4-methylphenoxy)-6-chlorobenzonitrile

2-(2-amino-4-methylphenoxy)-6-chlorobenzonitrile (PubChem CID 62497150) has the molecular formula C14H11ClN2O and a molecular weight of 258.71 g/mol. Its IUPAC name is 2-(2-amino-4-methylphenoxy)-6-chlorobenzonitrile.

Molecular Properties

Compound Name2-(2-amino-4-methylphenoxy)-6-chlorobenzonitrile
PubChem CID62497150
Molecular FormulaC14H11ClN2O
Molecular Weight258.71 g/mol
Exact Mass258.06
IUPAC Name2-(2-amino-4-methylphenoxy)-6-chlorobenzonitrile
SMILESCc1ccc(Oc2cccc(Cl)c2C#N)c(N)c1
InChIInChI=1S/C14H11ClN2O/c1-9-5-6-14(12(17)7-9)18-13-4-2-3-11(15)10(13)8-16/h2-7H,17H2,1H3
InChIKeyFRDGINSVYZPZKW-UHFFFAOYSA-N
XLogP3.89
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-amino-4-methylphenoxy)-6-chlorobenzonitrile 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-chloro-6-(2-methoxy-4-methylphenoxy)benzonitrile
CID 60701774
2-(3-chloro-2-cyanophenoxy)-4-methylbenzoic acid
CID 62496708
2-chloro-6-(2-chlorophenoxy)benzonitrile
CID 60701753
2-chloro-6-(2,4,5-trichlorophenoxy)benzonitrile
CID 60677682
2-(2-acetyl-4-aminophenoxy)-6-chlorobenzonitrile
CID 116541422
2-chloro-6-(2,4-dibromophenoxy)benzonitrile
CID 60678698
4-(3-chloro-2-cyanophenoxy)-3-methylbenzoic acid
CID 107672821
4-(2-amino-4-methylphenoxy)-3-methylbenzonitrile
CID 61313612
2-chloro-6-(2-chloro-4-methylphenoxy)aniline
CID 113458741
2-chloro-6-[6-(3-chloro-2-cyanophenoxy)naphthalen-2-yl]oxybenzonitrile
CID 58559891
2-(2,4-dichlorophenoxy)-6-methylbenzonitrile
CID 21429560
2-(2-tert-butylphenoxy)-6-chlorobenzonitrile
CID 63510707

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-methylphenoxy)-6-chlorobenzonitrile?
The IUPAC name of 2-(2-amino-4-methylphenoxy)-6-chlorobenzonitrile (CID 62497150) is 2-(2-amino-4-methylphenoxy)-6-chlorobenzonitrile.
What is the SMILES notation for 2-(2-amino-4-methylphenoxy)-6-chlorobenzonitrile?
The canonical SMILES for 2-(2-amino-4-methylphenoxy)-6-chlorobenzonitrile is Cc1ccc(Oc2cccc(Cl)c2C#N)c(N)c1.
What is the InChIKey of 2-(2-amino-4-methylphenoxy)-6-chlorobenzonitrile?
The InChIKey is FRDGINSVYZPZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O/c1-9-5-6-14(12(17)7-9)18-13-4-2-3-11(15)10(13)8-16/h2-7H,17H2,1H3.
What are the key properties of 2-(2-amino-4-methylphenoxy)-6-chlorobenzonitrile?
2-(2-amino-4-methylphenoxy)-6-chlorobenzonitrile has a molecular weight of 258.71 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-methylphenoxy)-6-chlorobenzonitrile is sourced from PubChem (CID 62497150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).