2-anilino-2-methoxyacetonitrile

C9H10N2O — CID 68980759

IUPAC2-anilino-2-methoxyacetonitrile
SMILESCOC(C#N)Nc1ccccc1
InChIInChI=1S/C9H10N2O/c1-12-9(7-10)11-8-5-3-2-4-6-8/h2-6,9,11H,1H3
InChIKeyDYRKBHLLVRUKOL-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.59
Rot. Bonds3

About 2-anilino-2-methoxyacetonitrile

2-anilino-2-methoxyacetonitrile (PubChem CID 68980759) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 2-anilino-2-methoxyacetonitrile.

Molecular Properties

Compound Name2-anilino-2-methoxyacetonitrile
PubChem CID68980759
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name2-anilino-2-methoxyacetonitrile
SMILESCOC(C#N)Nc1ccccc1
InChIInChI=1S/C9H10N2O/c1-12-9(7-10)11-8-5-3-2-4-6-8/h2-6,9,11H,1H3
InChIKeyDYRKBHLLVRUKOL-UHFFFAOYSA-N
XLogP1.59
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-anilino-2-(4-methoxyphenyl)acetonitrile
CID 899635
N-[1-(1-methoxyethoxy)ethyl]aniline
CID 89281099
2-anilino-2-(3,4,5-trimethoxyphenyl)acetonitrile
CID 102470175
2-anilino-2-(4-propan-2-ylphenyl)acetonitrile
CID 54886538
2-anilino-2-(2,3,4-trimethoxyphenyl)acetonitrile
CID 102232248
ethyl 3-anilino-3-cyanopropanoate
CID 66432357
methyl 2-cyano-2-(4-phenylanilino)acetate
CID 155683085
1-anilinoethanol;hydrate
CID 173450384
anilino cyanate
CID 57256741
2-anilino-N-(cyanomethyl)propanamide
CID 23467229
(2S)-2-anilino-2-thiophen-3-ylacetonitrile
CID 40637942
N-(1-trimethoxysilylpropan-2-yl)aniline
CID 22495234

Frequently Asked Questions

What is the IUPAC name of 2-anilino-2-methoxyacetonitrile?
The IUPAC name of 2-anilino-2-methoxyacetonitrile (CID 68980759) is 2-anilino-2-methoxyacetonitrile.
What is the SMILES notation for 2-anilino-2-methoxyacetonitrile?
The canonical SMILES for 2-anilino-2-methoxyacetonitrile is COC(C#N)Nc1ccccc1.
What is the InChIKey of 2-anilino-2-methoxyacetonitrile?
The InChIKey is DYRKBHLLVRUKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-12-9(7-10)11-8-5-3-2-4-6-8/h2-6,9,11H,1H3.
What are the key properties of 2-anilino-2-methoxyacetonitrile?
2-anilino-2-methoxyacetonitrile has a molecular weight of 162.19 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-2-methoxyacetonitrile is sourced from PubChem (CID 68980759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).