2-anilino-2-(3,4-dimethoxyphenyl)acetonitrile

C16H16N2O2 — CID 10730614

IUPAC2-anilino-2-(3,4-dimethoxyphenyl)acetonitrile
SMILESCOc1ccc(C(C#N)Nc2ccccc2)cc1OC
InChIInChI=1S/C16H16N2O2/c1-19-15-9-8-12(10-16(15)20-2)14(11-17)18-13-6-4-3-5-7-13/h3-10,14,18H,1-2H3
InChIKeyOLMDCIZBPTZJCL-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.38
Rot. Bonds5

About 2-anilino-2-(3,4-dimethoxyphenyl)acetonitrile

2-anilino-2-(3,4-dimethoxyphenyl)acetonitrile (PubChem CID 10730614) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-anilino-2-(3,4-dimethoxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-anilino-2-(3,4-dimethoxyphenyl)acetonitrile
PubChem CID10730614
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name2-anilino-2-(3,4-dimethoxyphenyl)acetonitrile
SMILESCOc1ccc(C(C#N)Nc2ccccc2)cc1OC
InChIInChI=1S/C16H16N2O2/c1-19-15-9-8-12(10-16(15)20-2)14(11-17)18-13-6-4-3-5-7-13/h3-10,14,18H,1-2H3
InChIKeyOLMDCIZBPTZJCL-UHFFFAOYSA-N
XLogP3.38
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-2-(3,4-dimethoxyphenyl)acetonitrile?
The IUPAC name of 2-anilino-2-(3,4-dimethoxyphenyl)acetonitrile (CID 10730614) is 2-anilino-2-(3,4-dimethoxyphenyl)acetonitrile.
What is the SMILES notation for 2-anilino-2-(3,4-dimethoxyphenyl)acetonitrile?
The canonical SMILES for 2-anilino-2-(3,4-dimethoxyphenyl)acetonitrile is COc1ccc(C(C#N)Nc2ccccc2)cc1OC.
What is the InChIKey of 2-anilino-2-(3,4-dimethoxyphenyl)acetonitrile?
The InChIKey is OLMDCIZBPTZJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-19-15-9-8-12(10-16(15)20-2)14(11-17)18-13-6-4-3-5-7-13/h3-10,14,18H,1-2H3.
What are the key properties of 2-anilino-2-(3,4-dimethoxyphenyl)acetonitrile?
2-anilino-2-(3,4-dimethoxyphenyl)acetonitrile has a molecular weight of 268.32 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-2-(3,4-dimethoxyphenyl)acetonitrile is sourced from PubChem (CID 10730614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).