4-(5-fluoro-2-methylphenoxy)-2-methyl-2-(methylamino)pentanenitrile

C14H19FN2O — CID 102983463

IUPAC4-(5-fluoro-2-methylphenoxy)-2-methyl-2-(methylamino)pentanenitrile
SMILESCNC(C)(C#N)CC(C)Oc1cc(F)ccc1C
InChIInChI=1S/C14H19FN2O/c1-10-5-6-12(15)7-13(10)18-11(2)8-14(3,9-16)17-4/h5-7,11,17H,8H2,1-4H3
InChIKeyVQTPJFPLMOXEPS-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.79
Rot. Bonds5

About 4-(5-fluoro-2-methylphenoxy)-2-methyl-2-(methylamino)pentanenitrile

4-(5-fluoro-2-methylphenoxy)-2-methyl-2-(methylamino)pentanenitrile (PubChem CID 102983463) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 4-(5-fluoro-2-methylphenoxy)-2-methyl-2-(methylamino)pentanenitrile.

Molecular Properties

Compound Name4-(5-fluoro-2-methylphenoxy)-2-methyl-2-(methylamino)pentanenitrile
PubChem CID102983463
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name4-(5-fluoro-2-methylphenoxy)-2-methyl-2-(methylamino)pentanenitrile
SMILESCNC(C)(C#N)CC(C)Oc1cc(F)ccc1C
InChIInChI=1S/C14H19FN2O/c1-10-5-6-12(15)7-13(10)18-11(2)8-14(3,9-16)17-4/h5-7,11,17H,8H2,1-4H3
InChIKeyVQTPJFPLMOXEPS-UHFFFAOYSA-N
XLogP2.79
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,5-difluorophenoxy)-2-methyl-2-(methylamino)pentanenitrile
CID 64728208
4-(5-fluoro-2-methylphenoxy)-2-methyl-2-(propan-2-ylamino)butanenitrile
CID 102983469
ethyl 4-(5-fluoro-2-methylphenoxy)-2-methyl-2-(methylamino)pentanoate
CID 102983589
2-(5-fluoro-2-methylphenoxy)-N-methylpropan-1-amine
CID 102986348
2-amino-2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pentanenitrile
CID 64725441
2-amino-4-(2,4-difluorophenoxy)-2-methylpentanenitrile
CID 64727389
2-(ethylamino)-4-(2-fluoro-5-methylphenoxy)-2-methylpentanenitrile
CID 64854871
4-(3,4-dimethylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanenitrile
CID 64725409
4-(4-butan-2-ylphenoxy)-2-methyl-2-(methylamino)pentanenitrile
CID 107667823
4-(3,4-dimethylphenyl)sulfanyl-2-methyl-2-(methylamino)pentanenitrile
CID 64709979
2-methyl-2-(methylamino)-4-(3-nitrophenoxy)pentanenitrile
CID 64726034
4-(2-methoxy-4-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanenitrile
CID 64725224

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methylphenoxy)-2-methyl-2-(methylamino)pentanenitrile?
The IUPAC name of 4-(5-fluoro-2-methylphenoxy)-2-methyl-2-(methylamino)pentanenitrile (CID 102983463) is 4-(5-fluoro-2-methylphenoxy)-2-methyl-2-(methylamino)pentanenitrile.
What is the SMILES notation for 4-(5-fluoro-2-methylphenoxy)-2-methyl-2-(methylamino)pentanenitrile?
The canonical SMILES for 4-(5-fluoro-2-methylphenoxy)-2-methyl-2-(methylamino)pentanenitrile is CNC(C)(C#N)CC(C)Oc1cc(F)ccc1C.
What is the InChIKey of 4-(5-fluoro-2-methylphenoxy)-2-methyl-2-(methylamino)pentanenitrile?
The InChIKey is VQTPJFPLMOXEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-10-5-6-12(15)7-13(10)18-11(2)8-14(3,9-16)17-4/h5-7,11,17H,8H2,1-4H3.
What are the key properties of 4-(5-fluoro-2-methylphenoxy)-2-methyl-2-(methylamino)pentanenitrile?
4-(5-fluoro-2-methylphenoxy)-2-methyl-2-(methylamino)pentanenitrile has a molecular weight of 250.32 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-methylphenoxy)-2-methyl-2-(methylamino)pentanenitrile is sourced from PubChem (CID 102983463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).