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

C15H14N2O — CID 114252551

IUPAC4-(3-amino-4-methylphenoxy)-2-methylbenzonitrile
SMILESCc1ccc(Oc2ccc(C#N)c(C)c2)cc1N
InChIInChI=1S/C15H14N2O/c1-10-3-5-14(8-15(10)17)18-13-6-4-12(9-16)11(2)7-13/h3-8H,17H2,1-2H3
InChIKeyFEZGMYYEDPIDEX-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.55
Rot. Bonds2

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

4-(3-amino-4-methylphenoxy)-2-methylbenzonitrile (PubChem CID 114252551) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-(3-amino-4-methylphenoxy)-2-methylbenzonitrile.

Molecular Properties

Compound Name4-(3-amino-4-methylphenoxy)-2-methylbenzonitrile
PubChem CID114252551
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name4-(3-amino-4-methylphenoxy)-2-methylbenzonitrile
SMILESCc1ccc(Oc2ccc(C#N)c(C)c2)cc1N
InChIInChI=1S/C15H14N2O/c1-10-3-5-14(8-15(10)17)18-13-6-4-12(9-16)11(2)7-13/h3-8H,17H2,1-2H3
InChIKeyFEZGMYYEDPIDEX-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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Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-4-methylphenoxy)-2-methylbenzonitrile?
The IUPAC name of 4-(3-amino-4-methylphenoxy)-2-methylbenzonitrile (CID 114252551) is 4-(3-amino-4-methylphenoxy)-2-methylbenzonitrile.
What is the SMILES notation for 4-(3-amino-4-methylphenoxy)-2-methylbenzonitrile?
The canonical SMILES for 4-(3-amino-4-methylphenoxy)-2-methylbenzonitrile is Cc1ccc(Oc2ccc(C#N)c(C)c2)cc1N.
What is the InChIKey of 4-(3-amino-4-methylphenoxy)-2-methylbenzonitrile?
The InChIKey is FEZGMYYEDPIDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-10-3-5-14(8-15(10)17)18-13-6-4-12(9-16)11(2)7-13/h3-8H,17H2,1-2H3.
What are the key properties of 4-(3-amino-4-methylphenoxy)-2-methylbenzonitrile?
4-(3-amino-4-methylphenoxy)-2-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-(3-amino-4-methylphenoxy)-2-methylbenzonitrile is sourced from PubChem (CID 114252551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).