2-(4-ethylphenyl)-2-(2-methoxyanilino)acetonitrile

C17H18N2O — CID 61005424

IUPAC2-(4-ethylphenyl)-2-(2-methoxyanilino)acetonitrile
SMILESCCc1ccc(C(C#N)Nc2ccccc2OC)cc1
InChIInChI=1S/C17H18N2O/c1-3-13-8-10-14(11-9-13)16(12-18)19-15-6-4-5-7-17(15)20-2/h4-11,16,19H,3H2,1-2H3
InChIKeyFIBYUVAIFIZCFQ-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.93
Rot. Bonds5

About 2-(4-ethylphenyl)-2-(2-methoxyanilino)acetonitrile

2-(4-ethylphenyl)-2-(2-methoxyanilino)acetonitrile (PubChem CID 61005424) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-2-(2-methoxyanilino)acetonitrile.

Molecular Properties

Compound Name2-(4-ethylphenyl)-2-(2-methoxyanilino)acetonitrile
PubChem CID61005424
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name2-(4-ethylphenyl)-2-(2-methoxyanilino)acetonitrile
SMILESCCc1ccc(C(C#N)Nc2ccccc2OC)cc1
InChIInChI=1S/C17H18N2O/c1-3-13-8-10-14(11-9-13)16(12-18)19-15-6-4-5-7-17(15)20-2/h4-11,16,19H,3H2,1-2H3
InChIKeyFIBYUVAIFIZCFQ-UHFFFAOYSA-N
XLogP3.93
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2-methoxyanilino)-2-(4-methoxyphenyl)acetonitrile
CID 936869
2-(3-hydroxy-4-methoxyphenyl)-2-(2-methoxyanilino)acetonitrile
CID 61005779
2-(3-fluoro-4-hydroxyphenyl)-2-(2-methoxyanilino)acetonitrile
CID 107686157
2-(4-ethylphenyl)-2-(4-fluoroanilino)acetonitrile
CID 54886631
2-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyanilino)acetonitrile
CID 61004887
2-(4-chloroanilino)-2-(4-ethylphenyl)acetonitrile
CID 54886237
N-[1-(4-ethylphenyl)ethyl]-2-propan-2-yloxyaniline
CID 43739243
3-(2-methoxyanilino)-3-phenylpropanenitrile
CID 62778351
2-(2-methoxyanilino)-2-(2-methyl-1,3-thiazol-4-yl)acetonitrile
CID 113472184
(Z)-2-cyano-3-[1-(4-ethylphenyl)ethylamino]-N-(2-methoxyphenyl)prop-2-enamide
CID 108820984
2-(2-bromoanilino)-2-(3-hydroxy-4-methoxyphenyl)acetonitrile
CID 61006456
N-[1-(4-bromophenyl)-3-phenylprop-2-ynyl]-2-methoxyaniline
CID 11646828

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-2-(2-methoxyanilino)acetonitrile?
The IUPAC name of 2-(4-ethylphenyl)-2-(2-methoxyanilino)acetonitrile (CID 61005424) is 2-(4-ethylphenyl)-2-(2-methoxyanilino)acetonitrile.
What is the SMILES notation for 2-(4-ethylphenyl)-2-(2-methoxyanilino)acetonitrile?
The canonical SMILES for 2-(4-ethylphenyl)-2-(2-methoxyanilino)acetonitrile is CCc1ccc(C(C#N)Nc2ccccc2OC)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-2-(2-methoxyanilino)acetonitrile?
The InChIKey is FIBYUVAIFIZCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-3-13-8-10-14(11-9-13)16(12-18)19-15-6-4-5-7-17(15)20-2/h4-11,16,19H,3H2,1-2H3.
What are the key properties of 2-(4-ethylphenyl)-2-(2-methoxyanilino)acetonitrile?
2-(4-ethylphenyl)-2-(2-methoxyanilino)acetonitrile has a molecular weight of 266.34 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-2-(2-methoxyanilino)acetonitrile is sourced from PubChem (CID 61005424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).