5-methyl-2-(4-propan-2-yloxyanilino)benzonitrile

C17H18N2O — CID 107926997

IUPAC5-methyl-2-(4-propan-2-yloxyanilino)benzonitrile
SMILESCc1ccc(Nc2ccc(OC(C)C)cc2)c(C#N)c1
InChIInChI=1S/C17H18N2O/c1-12(2)20-16-7-5-15(6-8-16)19-17-9-4-13(3)10-14(17)11-18/h4-10,12,19H,1-3H3
InChIKeyAZJYDKQAHBABAV-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.40
Rot. Bonds4

About 5-methyl-2-(4-propan-2-yloxyanilino)benzonitrile

5-methyl-2-(4-propan-2-yloxyanilino)benzonitrile (PubChem CID 107926997) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-methyl-2-(4-propan-2-yloxyanilino)benzonitrile.

Molecular Properties

Compound Name5-methyl-2-(4-propan-2-yloxyanilino)benzonitrile
PubChem CID107926997
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name5-methyl-2-(4-propan-2-yloxyanilino)benzonitrile
SMILESCc1ccc(Nc2ccc(OC(C)C)cc2)c(C#N)c1
InChIInChI=1S/C17H18N2O/c1-12(2)20-16-7-5-15(6-8-16)19-17-9-4-13(3)10-14(17)11-18/h4-10,12,19H,1-3H3
InChIKeyAZJYDKQAHBABAV-UHFFFAOYSA-N
XLogP4.40
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-aminoethoxy)anilino]-5-methylbenzonitrile
CID 107931679
2-(3,5-dimethylanilino)-5-methylbenzonitrile
CID 107926938
2-(4-ethylanilino)-5-methylbenzonitrile
CID 114016768
2-(3,4-dimethylanilino)-5-methylbenzonitrile
CID 107926959
5-methyl-2-(4-propan-2-yloxyanilino)benzenecarbothioamide
CID 107928500
5-bromo-2-(4-methylanilino)benzonitrile
CID 114890405
2-(2-fluoro-5-methoxyanilino)-5-methylbenzonitrile
CID 107927648
5-bromo-2-[4-(difluoromethoxy)anilino]benzonitrile
CID 114890441
2-(2,2-dimethylhydrazinyl)-5-methylbenzonitrile
CID 107927736
N'-(2,4-dimethylphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54805668
2-(3-iodoanilino)-5-methylbenzonitrile
CID 114016786
2-[4-(difluoromethoxy)anilino]-5-nitrobenzonitrile
CID 9311738

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-propan-2-yloxyanilino)benzonitrile?
The IUPAC name of 5-methyl-2-(4-propan-2-yloxyanilino)benzonitrile (CID 107926997) is 5-methyl-2-(4-propan-2-yloxyanilino)benzonitrile.
What is the SMILES notation for 5-methyl-2-(4-propan-2-yloxyanilino)benzonitrile?
The canonical SMILES for 5-methyl-2-(4-propan-2-yloxyanilino)benzonitrile is Cc1ccc(Nc2ccc(OC(C)C)cc2)c(C#N)c1.
What is the InChIKey of 5-methyl-2-(4-propan-2-yloxyanilino)benzonitrile?
The InChIKey is AZJYDKQAHBABAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-12(2)20-16-7-5-15(6-8-16)19-17-9-4-13(3)10-14(17)11-18/h4-10,12,19H,1-3H3.
What are the key properties of 5-methyl-2-(4-propan-2-yloxyanilino)benzonitrile?
5-methyl-2-(4-propan-2-yloxyanilino)benzonitrile has a molecular weight of 266.34 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-propan-2-yloxyanilino)benzonitrile is sourced from PubChem (CID 107926997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).