6-(2,6-difluorophenoxy)-2-(ethylamino)-2-methylhexanenitrile

C15H20F2N2O — CID 81268081

IUPAC6-(2,6-difluorophenoxy)-2-(ethylamino)-2-methylhexanenitrile
SMILESCCNC(C)(C#N)CCCCOc1c(F)cccc1F
InChIInChI=1S/C15H20F2N2O/c1-3-19-15(2,11-18)9-4-5-10-20-14-12(16)7-6-8-13(14)17/h6-8,19H,3-5,9-10H2,1-2H3
InChIKeyZEBDHNZQRLVSPY-UHFFFAOYSA-N
MW282.33 g/mol
LogP3.41
Rot. Bonds8

About 6-(2,6-difluorophenoxy)-2-(ethylamino)-2-methylhexanenitrile

6-(2,6-difluorophenoxy)-2-(ethylamino)-2-methylhexanenitrile (PubChem CID 81268081) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is 6-(2,6-difluorophenoxy)-2-(ethylamino)-2-methylhexanenitrile.

Molecular Properties

Compound Name6-(2,6-difluorophenoxy)-2-(ethylamino)-2-methylhexanenitrile
PubChem CID81268081
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC Name6-(2,6-difluorophenoxy)-2-(ethylamino)-2-methylhexanenitrile
SMILESCCNC(C)(C#N)CCCCOc1c(F)cccc1F
InChIInChI=1S/C15H20F2N2O/c1-3-19-15(2,11-18)9-4-5-10-20-14-12(16)7-6-8-13(14)17/h6-8,19H,3-5,9-10H2,1-2H3
InChIKeyZEBDHNZQRLVSPY-UHFFFAOYSA-N
XLogP3.41
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2,6-difluorophenoxy)-2-methyl-2-(methylamino)butanenitrile
CID 81269482
2-(ethylamino)-2-methyl-4-(2,3,5,6-tetrafluorophenoxy)butanenitrile
CID 103289965
6-[2-(ethylaminomethyl)-6-fluorophenoxy]-2,2-dimethylhexanenitrile
CID 106708883
2-(ethylamino)-2-methyl-6-(4-propylphenoxy)hexanenitrile
CID 62548403
5-(2-bromo-6-nitrophenoxy)-2-(ethylamino)-2-methylpentanenitrile
CID 81496203
2-(ethylamino)-5-[2-(hydroxymethyl)phenoxy]-2-methylpentanenitrile
CID 63654501
methyl 6-(2,6-difluorophenoxy)-2-methyl-2-(methylamino)hexanoate
CID 81265264
5-(2,3-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)pentanenitrile
CID 63036442
2-(ethylamino)-5-[2-(2-hydroxyethyl)phenoxy]-2-methylpentanenitrile
CID 107713923
2-(ethylamino)-6,6,6-trifluoro-2-methylhexanenitrile
CID 116535435
5-[2-fluoro-6-(propylaminomethyl)phenoxy]-2,2-dimethylpentanenitrile
CID 115953409
5-(2,6-difluorophenoxy)-2-methyl-2-(propylamino)pentanamide
CID 81265267

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluorophenoxy)-2-(ethylamino)-2-methylhexanenitrile?
The IUPAC name of 6-(2,6-difluorophenoxy)-2-(ethylamino)-2-methylhexanenitrile (CID 81268081) is 6-(2,6-difluorophenoxy)-2-(ethylamino)-2-methylhexanenitrile.
What is the SMILES notation for 6-(2,6-difluorophenoxy)-2-(ethylamino)-2-methylhexanenitrile?
The canonical SMILES for 6-(2,6-difluorophenoxy)-2-(ethylamino)-2-methylhexanenitrile is CCNC(C)(C#N)CCCCOc1c(F)cccc1F.
What is the InChIKey of 6-(2,6-difluorophenoxy)-2-(ethylamino)-2-methylhexanenitrile?
The InChIKey is ZEBDHNZQRLVSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O/c1-3-19-15(2,11-18)9-4-5-10-20-14-12(16)7-6-8-13(14)17/h6-8,19H,3-5,9-10H2,1-2H3.
What are the key properties of 6-(2,6-difluorophenoxy)-2-(ethylamino)-2-methylhexanenitrile?
6-(2,6-difluorophenoxy)-2-(ethylamino)-2-methylhexanenitrile has a molecular weight of 282.33 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-difluorophenoxy)-2-(ethylamino)-2-methylhexanenitrile is sourced from PubChem (CID 81268081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).