2-methyl-4-(2-propylanilino)benzonitrile

C17H18N2 — CID 81281672

IUPAC2-methyl-4-(2-propylanilino)benzonitrile
SMILESCCCc1ccccc1Nc1ccc(C#N)c(C)c1
InChIInChI=1S/C17H18N2/c1-3-6-14-7-4-5-8-17(14)19-16-10-9-15(12-18)13(2)11-16/h4-5,7-11,19H,3,6H2,1-2H3
InChIKeyOXMYKSDHHKREQR-UHFFFAOYSA-N
MW250.34 g/mol
LogP4.56
Rot. Bonds4

About 2-methyl-4-(2-propylanilino)benzonitrile

2-methyl-4-(2-propylanilino)benzonitrile (PubChem CID 81281672) has the molecular formula C17H18N2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-methyl-4-(2-propylanilino)benzonitrile.

Molecular Properties

Compound Name2-methyl-4-(2-propylanilino)benzonitrile
PubChem CID81281672
Molecular FormulaC17H18N2
Molecular Weight250.34 g/mol
Exact Mass250.15
IUPAC Name2-methyl-4-(2-propylanilino)benzonitrile
SMILESCCCc1ccccc1Nc1ccc(C#N)c(C)c1
InChIInChI=1S/C17H18N2/c1-3-6-14-7-4-5-8-17(14)19-16-10-9-15(12-18)13(2)11-16/h4-5,7-11,19H,3,6H2,1-2H3
InChIKeyOXMYKSDHHKREQR-UHFFFAOYSA-N
XLogP4.56
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-(2-propylanilino)benzonitrile
CID 102815771
4-(2,5-dimethylanilino)-2-methylbenzonitrile
CID 81277304
3-hydroxy-4-(2-propylanilino)benzonitrile
CID 143183099
2-methyl-4-(2,4,5-trichloroanilino)benzonitrile
CID 81278130
3-methyl-4-[(2-propylanilino)methyl]benzonitrile
CID 114480098
2-chloro-4-[2-(methoxymethyl)anilino]benzonitrile
CID 62947985
2-methyl-4-(2-phenylethylamino)benzonitrile
CID 81273543
4-[[2-(ethoxymethyl)phenyl]methylamino]-2-methylbenzonitrile
CID 81269742
3-bromo-4-(2-propylanilino)benzonitrile
CID 82797891
3-methyl-N-phenyl-4-propylaniline
CID 24977147
4-(4-chloroanilino)-2-methylbenzonitrile
CID 81277228
4-(benzylamino)-2-methylbenzonitrile
CID 81272992

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-propylanilino)benzonitrile?
The IUPAC name of 2-methyl-4-(2-propylanilino)benzonitrile (CID 81281672) is 2-methyl-4-(2-propylanilino)benzonitrile.
What is the SMILES notation for 2-methyl-4-(2-propylanilino)benzonitrile?
The canonical SMILES for 2-methyl-4-(2-propylanilino)benzonitrile is CCCc1ccccc1Nc1ccc(C#N)c(C)c1.
What is the InChIKey of 2-methyl-4-(2-propylanilino)benzonitrile?
The InChIKey is OXMYKSDHHKREQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c1-3-6-14-7-4-5-8-17(14)19-16-10-9-15(12-18)13(2)11-16/h4-5,7-11,19H,3,6H2,1-2H3.
What are the key properties of 2-methyl-4-(2-propylanilino)benzonitrile?
2-methyl-4-(2-propylanilino)benzonitrile has a molecular weight of 250.34 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-propylanilino)benzonitrile is sourced from PubChem (CID 81281672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).