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

C15H14N2O — CID 107111192

IUPAC2-(4-amino-3-methylphenoxy)-3-methylbenzonitrile
SMILESCc1cc(Oc2c(C)cccc2C#N)ccc1N
InChIInChI=1S/C15H14N2O/c1-10-4-3-5-12(9-16)15(10)18-13-6-7-14(17)11(2)8-13/h3-8H,17H2,1-2H3
InChIKeyXZRIEDSFZITFMB-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.55
Rot. Bonds2

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

2-(4-amino-3-methylphenoxy)-3-methylbenzonitrile (PubChem CID 107111192) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(4-amino-3-methylphenoxy)-3-methylbenzonitrile.

Molecular Properties

Compound Name2-(4-amino-3-methylphenoxy)-3-methylbenzonitrile
PubChem CID107111192
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name2-(4-amino-3-methylphenoxy)-3-methylbenzonitrile
SMILESCc1cc(Oc2c(C)cccc2C#N)ccc1N
InChIInChI=1S/C15H14N2O/c1-10-4-3-5-12(9-16)15(10)18-13-6-7-14(17)11(2)8-13/h3-8H,17H2,1-2H3
InChIKeyXZRIEDSFZITFMB-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-(4-amino-3-methylphenoxy)-2-methylbenzonitrile
CID 81279568
2-(3,4-difluorophenoxy)-3-methylbenzonitrile
CID 107107508
4-(2,6-dimethylphenoxy)benzene-1,2-dicarbonitrile
CID 139067374
4-(2-cyano-6-methylphenoxy)benzamide
CID 107107475
2-(2-amino-4-cyanophenoxy)-3-methylbenzonitrile
CID 107111200
3-methyl-2-[4-(trifluoromethyl)phenoxy]benzonitrile
CID 107107494
2-(5-amino-2-bromophenoxy)-3-methylbenzonitrile
CID 107111225
2-(2-amino-4-bromo-5-fluorophenoxy)-3-methylbenzonitrile
CID 107111227
3-(4-amino-3-methylphenoxy)pyridazine-4-carbonitrile
CID 80514822
2-(4-aminophenoxy)benzene-1,3-dicarbonitrile
CID 2805873
4-(3-amino-2-methylphenoxy)-2-methylbenzonitrile
CID 81279070
4-(3-amino-4-methylphenoxy)-2-methylbenzonitrile
CID 114252551

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-methylphenoxy)-3-methylbenzonitrile?
The IUPAC name of 2-(4-amino-3-methylphenoxy)-3-methylbenzonitrile (CID 107111192) is 2-(4-amino-3-methylphenoxy)-3-methylbenzonitrile.
What is the SMILES notation for 2-(4-amino-3-methylphenoxy)-3-methylbenzonitrile?
The canonical SMILES for 2-(4-amino-3-methylphenoxy)-3-methylbenzonitrile is Cc1cc(Oc2c(C)cccc2C#N)ccc1N.
What is the InChIKey of 2-(4-amino-3-methylphenoxy)-3-methylbenzonitrile?
The InChIKey is XZRIEDSFZITFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-10-4-3-5-12(9-16)15(10)18-13-6-7-14(17)11(2)8-13/h3-8H,17H2,1-2H3.
What are the key properties of 2-(4-amino-3-methylphenoxy)-3-methylbenzonitrile?
2-(4-amino-3-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 2-(4-amino-3-methylphenoxy)-3-methylbenzonitrile is sourced from PubChem (CID 107111192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).