2-(3,4-diethoxyanilino)benzonitrile

C17H18N2O2 — CID 28601733

IUPAC2-(3,4-diethoxyanilino)benzonitrile
SMILESCCOc1ccc(Nc2ccccc2C#N)cc1OCC
InChIInChI=1S/C17H18N2O2/c1-3-20-16-10-9-14(11-17(16)21-4-2)19-15-8-6-5-7-13(15)12-18/h5-11,19H,3-4H2,1-2H3
InChIKeyAATXPAGRMBEENS-UHFFFAOYSA-N
MW282.34 g/mol
LogP4.10
Rot. Bonds6

About 2-(3,4-diethoxyanilino)benzonitrile

2-(3,4-diethoxyanilino)benzonitrile (PubChem CID 28601733) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-(3,4-diethoxyanilino)benzonitrile.

Molecular Properties

Compound Name2-(3,4-diethoxyanilino)benzonitrile
PubChem CID28601733
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name2-(3,4-diethoxyanilino)benzonitrile
SMILESCCOc1ccc(Nc2ccccc2C#N)cc1OCC
InChIInChI=1S/C17H18N2O2/c1-3-20-16-10-9-14(11-17(16)21-4-2)19-15-8-6-5-7-13(15)12-18/h5-11,19H,3-4H2,1-2H3
InChIKeyAATXPAGRMBEENS-UHFFFAOYSA-N
XLogP4.10
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-ethoxy-3-methoxyphenyl)methylamino]benzonitrile
CID 28615869
N-(2-cyanophenyl)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 46801790
[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 3,4-diethoxybenzoate
CID 8708096
N-[4-(2-cyanoanilino)phenyl]-4-ethoxybenzenesulfonamide
CID 112989912
4-chloro-2-(2-ethoxyanilino)benzonitrile
CID 63517459
2-[3-(methylamino)anilino]benzonitrile
CID 117027188
2-(3-bromo-4-methylanilino)benzonitrile
CID 63512186
N-(2-cyanophenyl)-3,4,5-triethoxybenzamide
CID 3256014
(2-cyanophenyl)methyl-[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylazanium
CID 8818931
2-(4-amino-3-ethoxyanilino)-3-methoxybenzonitrile
CID 107466512
2-[[4-(2-ethoxyanilino)pyrimidin-2-yl]amino]benzonitrile
CID 112904858
5-(2-cyanoanilino)-2-nitrobenzonitrile
CID 115500867

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-diethoxyanilino)benzonitrile?
The IUPAC name of 2-(3,4-diethoxyanilino)benzonitrile (CID 28601733) is 2-(3,4-diethoxyanilino)benzonitrile.
What is the SMILES notation for 2-(3,4-diethoxyanilino)benzonitrile?
The canonical SMILES for 2-(3,4-diethoxyanilino)benzonitrile is CCOc1ccc(Nc2ccccc2C#N)cc1OCC.
What is the InChIKey of 2-(3,4-diethoxyanilino)benzonitrile?
The InChIKey is AATXPAGRMBEENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-3-20-16-10-9-14(11-17(16)21-4-2)19-15-8-6-5-7-13(15)12-18/h5-11,19H,3-4H2,1-2H3.
What are the key properties of 2-(3,4-diethoxyanilino)benzonitrile?
2-(3,4-diethoxyanilino)benzonitrile has a molecular weight of 282.34 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-diethoxyanilino)benzonitrile is sourced from PubChem (CID 28601733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).