4-(2-amino-4-methylphenoxy)-3-methylbenzonitrile

C15H14N2O — CID 61313612

IUPAC4-(2-amino-4-methylphenoxy)-3-methylbenzonitrile
SMILESCc1ccc(Oc2ccc(C#N)cc2C)c(N)c1
InChIInChI=1S/C15H14N2O/c1-10-3-5-15(13(17)7-10)18-14-6-4-12(9-16)8-11(14)2/h3-8H,17H2,1-2H3
InChIKeyNYAQFNHRUQBEIB-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.55
Rot. Bonds2

About 4-(2-amino-4-methylphenoxy)-3-methylbenzonitrile

4-(2-amino-4-methylphenoxy)-3-methylbenzonitrile (PubChem CID 61313612) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-(2-amino-4-methylphenoxy)-3-methylbenzonitrile.

Molecular Properties

Compound Name4-(2-amino-4-methylphenoxy)-3-methylbenzonitrile
PubChem CID61313612
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name4-(2-amino-4-methylphenoxy)-3-methylbenzonitrile
SMILESCc1ccc(Oc2ccc(C#N)cc2C)c(N)c1
InChIInChI=1S/C15H14N2O/c1-10-3-5-15(13(17)7-10)18-14-6-4-12(9-16)8-11(14)2/h3-8H,17H2,1-2H3
InChIKeyNYAQFNHRUQBEIB-UHFFFAOYSA-N
XLogP3.55
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.55
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

4-(2-amino-4-fluorophenoxy)-3-methylbenzonitrile
CID 62368179
4-(2,4-dimethylphenoxy)-3-hydroxybenzonitrile
CID 143183176
3-amino-4-(2,3,5-trimethylphenoxy)benzonitrile
CID 43518303
4-amino-3-(2,5-dimethylphenoxy)benzonitrile
CID 113444292
3-(2-amino-4-bromophenoxy)-4-methylbenzonitrile
CID 107655195
3-chloro-4-(2,4-dimethylphenoxy)benzonitrile;3-chloro-4-(2-methoxy-5-methylphenoxy)benzonitrile
CID 69464154
3-bromo-4-(2-bromo-4-methylphenoxy)benzonitrile
CID 82798072
4-(2-fluorophenoxy)-3-methylbenzonitrile
CID 54934331
4-(2-iodophenoxy)-3-methylbenzonitrile
CID 55219826
4-(2-chlorophenoxy)-3-methylbenzonitrile
CID 54934374
4-amino-3-methylbenzonitrile
CID 7010316
2-(2,4-dimethylphenoxy)-5-methylbenzonitrile
CID 107928070

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-4-methylphenoxy)-3-methylbenzonitrile?
The IUPAC name of 4-(2-amino-4-methylphenoxy)-3-methylbenzonitrile (CID 61313612) is 4-(2-amino-4-methylphenoxy)-3-methylbenzonitrile.
What is the SMILES notation for 4-(2-amino-4-methylphenoxy)-3-methylbenzonitrile?
The canonical SMILES for 4-(2-amino-4-methylphenoxy)-3-methylbenzonitrile is Cc1ccc(Oc2ccc(C#N)cc2C)c(N)c1.
What is the InChIKey of 4-(2-amino-4-methylphenoxy)-3-methylbenzonitrile?
The InChIKey is NYAQFNHRUQBEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-10-3-5-15(13(17)7-10)18-14-6-4-12(9-16)8-11(14)2/h3-8H,17H2,1-2H3.
What are the key properties of 4-(2-amino-4-methylphenoxy)-3-methylbenzonitrile?
4-(2-amino-4-methylphenoxy)-3-methylbenzonitrile has a molecular weight of 238.29 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-4-methylphenoxy)-3-methylbenzonitrile is sourced from PubChem (CID 61313612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).