2-anilino-2-(3,4,5-trimethoxyphenyl)acetonitrile

C17H18N2O3 — CID 102470175

IUPAC2-anilino-2-(3,4,5-trimethoxyphenyl)acetonitrile
SMILESCOc1cc(C(C#N)Nc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C17H18N2O3/c1-20-15-9-12(10-16(21-2)17(15)22-3)14(11-18)19-13-7-5-4-6-8-13/h4-10,14,19H,1-3H3
InChIKeyRXXFGEVITOCUHY-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.39
Rot. Bonds6

About 2-anilino-2-(3,4,5-trimethoxyphenyl)acetonitrile

2-anilino-2-(3,4,5-trimethoxyphenyl)acetonitrile (PubChem CID 102470175) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-anilino-2-(3,4,5-trimethoxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-anilino-2-(3,4,5-trimethoxyphenyl)acetonitrile
PubChem CID102470175
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name2-anilino-2-(3,4,5-trimethoxyphenyl)acetonitrile
SMILESCOc1cc(C(C#N)Nc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C17H18N2O3/c1-20-15-9-12(10-16(21-2)17(15)22-3)14(11-18)19-13-7-5-4-6-8-13/h4-10,14,19H,1-3H3
InChIKeyRXXFGEVITOCUHY-UHFFFAOYSA-N
XLogP3.39
TPSA63.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-anilino-2-(3,4,5-trimethoxyphenyl)acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-anilino-2-(2,3,4-trimethoxyphenyl)acetonitrile
CID 102232248
(2S)-2-anilino-2-(4-methoxyphenyl)acetonitrile
CID 899635
2-(ethylamino)-2-(3,4,5-trimethoxyphenyl)acetonitrile
CID 43115147
2-(3-bromoanilino)-2-(3,4-dimethoxyphenyl)acetonitrile
CID 60990260
2-anilino-2-(4-propan-2-ylphenyl)acetonitrile
CID 54886538
2-(3-methylbutylamino)-2-(3,4,5-trimethoxyphenyl)acetonitrile
CID 82020046
2-(4-hydroxy-3-methoxyphenyl)-2-(4-methoxyanilino)acetonitrile
CID 60987304
(2S)-2-anilino-2-thiophen-3-ylacetonitrile
CID 40637942
2-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-(4-fluoroanilino)acetonitrile
CID 60987649
2-(3-methoxyanilino)-2-(3-methoxyphenyl)acetonitrile
CID 60990435
2-(4-fluoroanilino)-2-(4-hydroxy-3-methoxyphenyl)acetonitrile
CID 60986867
2-anilino-2-(3-propan-2-yloxyphenyl)acetonitrile
CID 61212447

Frequently Asked Questions

What is the IUPAC name of 2-anilino-2-(3,4,5-trimethoxyphenyl)acetonitrile?
The IUPAC name of 2-anilino-2-(3,4,5-trimethoxyphenyl)acetonitrile (CID 102470175) is 2-anilino-2-(3,4,5-trimethoxyphenyl)acetonitrile.
What is the SMILES notation for 2-anilino-2-(3,4,5-trimethoxyphenyl)acetonitrile?
The canonical SMILES for 2-anilino-2-(3,4,5-trimethoxyphenyl)acetonitrile is COc1cc(C(C#N)Nc2ccccc2)cc(OC)c1OC.
What is the InChIKey of 2-anilino-2-(3,4,5-trimethoxyphenyl)acetonitrile?
The InChIKey is RXXFGEVITOCUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-20-15-9-12(10-16(21-2)17(15)22-3)14(11-18)19-13-7-5-4-6-8-13/h4-10,14,19H,1-3H3.
What are the key properties of 2-anilino-2-(3,4,5-trimethoxyphenyl)acetonitrile?
2-anilino-2-(3,4,5-trimethoxyphenyl)acetonitrile has a molecular weight of 298.34 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-2-(3,4,5-trimethoxyphenyl)acetonitrile is sourced from PubChem (CID 102470175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).