3-(2-fluoro-5-methylphenoxy)-2-methyl-2-(methylamino)propanenitrile

C12H15FN2O — CID 64853489

IUPAC3-(2-fluoro-5-methylphenoxy)-2-methyl-2-(methylamino)propanenitrile
SMILESCNC(C)(C#N)COc1cc(C)ccc1F
InChIInChI=1S/C12H15FN2O/c1-9-4-5-10(13)11(6-9)16-8-12(2,7-14)15-3/h4-6,15H,8H2,1-3H3
InChIKeyQATQGBLXSSYOOY-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.01
Rot. Bonds4

About 3-(2-fluoro-5-methylphenoxy)-2-methyl-2-(methylamino)propanenitrile

3-(2-fluoro-5-methylphenoxy)-2-methyl-2-(methylamino)propanenitrile (PubChem CID 64853489) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 3-(2-fluoro-5-methylphenoxy)-2-methyl-2-(methylamino)propanenitrile.

Molecular Properties

Compound Name3-(2-fluoro-5-methylphenoxy)-2-methyl-2-(methylamino)propanenitrile
PubChem CID64853489
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name3-(2-fluoro-5-methylphenoxy)-2-methyl-2-(methylamino)propanenitrile
SMILESCNC(C)(C#N)COc1cc(C)ccc1F
InChIInChI=1S/C12H15FN2O/c1-9-4-5-10(13)11(6-9)16-8-12(2,7-14)15-3/h4-6,15H,8H2,1-3H3
InChIKeyQATQGBLXSSYOOY-UHFFFAOYSA-N
XLogP2.01
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propylamino)butanenitrile
CID 64854867
2-(cyclopropylamino)-5-(2-fluoro-5-methylphenoxy)-2-methylpentanenitrile
CID 64855633
ethane;1-fluoro-4-methyl-2-(2,2,2-trifluoroethoxy)benzene
CID 145227334
2-(ethylamino)-4-(2-fluoro-5-methylphenoxy)-2-methylpentanenitrile
CID 64854871
3-(2-fluoro-5-methylphenoxy)-N,2-dimethylpropan-1-amine
CID 64855623
2-amino-2-ethyl-5-(2-fluoro-5-methylphenoxy)pentanenitrile
CID 106804842
N-(2-cyanoethyl)-2-(2-fluoro-5-methylphenoxy)acetamide
CID 64854138
2-(2-fluoro-5-methylphenoxy)-N,2-dimethylpropan-1-amine
CID 64854500
1-(2-fluoro-5-methylphenoxy)propan-2-one
CID 64855614
2-fluoro-3-[(2-fluoro-5-methylphenoxy)methyl]benzonitrile
CID 103912314
2-(2-fluoro-5-methylphenoxy)-N,N-dimethylacetamide
CID 64853369
2-[(2-fluoro-5-methylphenoxy)methyl]prop-2-en-1-amine
CID 103067314

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-5-methylphenoxy)-2-methyl-2-(methylamino)propanenitrile?
The IUPAC name of 3-(2-fluoro-5-methylphenoxy)-2-methyl-2-(methylamino)propanenitrile (CID 64853489) is 3-(2-fluoro-5-methylphenoxy)-2-methyl-2-(methylamino)propanenitrile.
What is the SMILES notation for 3-(2-fluoro-5-methylphenoxy)-2-methyl-2-(methylamino)propanenitrile?
The canonical SMILES for 3-(2-fluoro-5-methylphenoxy)-2-methyl-2-(methylamino)propanenitrile is CNC(C)(C#N)COc1cc(C)ccc1F.
What is the InChIKey of 3-(2-fluoro-5-methylphenoxy)-2-methyl-2-(methylamino)propanenitrile?
The InChIKey is QATQGBLXSSYOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-9-4-5-10(13)11(6-9)16-8-12(2,7-14)15-3/h4-6,15H,8H2,1-3H3.
What are the key properties of 3-(2-fluoro-5-methylphenoxy)-2-methyl-2-(methylamino)propanenitrile?
3-(2-fluoro-5-methylphenoxy)-2-methyl-2-(methylamino)propanenitrile has a molecular weight of 222.26 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-5-methylphenoxy)-2-methyl-2-(methylamino)propanenitrile is sourced from PubChem (CID 64853489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).