2-cyclopropyl-2-(cyclopropylamino)-3-(2,4-difluorophenoxy)propanenitrile

C15H16F2N2O — CID 63905680

IUPAC2-cyclopropyl-2-(cyclopropylamino)-3-(2,4-difluorophenoxy)propanenitrile
SMILESN#CC(COc1ccc(F)cc1F)(NC1CC1)C1CC1
InChIInChI=1S/C15H16F2N2O/c16-11-3-6-14(13(17)7-11)20-9-15(8-18,10-1-2-10)19-12-4-5-12/h3,6-7,10,12,19H,1-2,4-5,9H2
InChIKeyXOGSZJGQDYFGRZ-UHFFFAOYSA-N
MW278.30 g/mol
LogP2.77
Rot. Bonds6

About 2-cyclopropyl-2-(cyclopropylamino)-3-(2,4-difluorophenoxy)propanenitrile

2-cyclopropyl-2-(cyclopropylamino)-3-(2,4-difluorophenoxy)propanenitrile (PubChem CID 63905680) has the molecular formula C15H16F2N2O and a molecular weight of 278.30 g/mol. Its IUPAC name is 2-cyclopropyl-2-(cyclopropylamino)-3-(2,4-difluorophenoxy)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-2-(cyclopropylamino)-3-(2,4-difluorophenoxy)propanenitrile
PubChem CID63905680
Molecular FormulaC15H16F2N2O
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Name2-cyclopropyl-2-(cyclopropylamino)-3-(2,4-difluorophenoxy)propanenitrile
SMILESN#CC(COc1ccc(F)cc1F)(NC1CC1)C1CC1
InChIInChI=1S/C15H16F2N2O/c16-11-3-6-14(13(17)7-11)20-9-15(8-18,10-1-2-10)19-12-4-5-12/h3,6-7,10,12,19H,1-2,4-5,9H2
InChIKeyXOGSZJGQDYFGRZ-UHFFFAOYSA-N
XLogP2.77
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-(cyclopropylamino)-3-[3-(methoxymethyl)phenoxy]propanenitrile
CID 63984999
2-(cyclopropylamino)-4-(2,4-difluorophenoxy)-2-methylbutan-1-ol
CID 64803671
2-cyclopropyl-3-(2-methoxyphenoxy)-2-(methylamino)propanenitrile
CID 63906095
2-cyclopropyl-3-(3-fluorophenoxy)-2-(propan-2-ylamino)propanenitrile
CID 63907147
2-cyclopropyl-2-(cyclopropylamino)-3-(2-fluorophenyl)sulfanylpropanenitrile
CID 63908036
methyl 2-cyclopropyl-3-(2,4-difluorophenoxy)-2-(ethylamino)propanoate
CID 63920176
1-(2,4-difluorophenoxy)-N,2-dimethylpropan-2-amine
CID 82126938
2-cyclopropyl-2-(cyclopropylamino)-3-(2-methylbutan-2-yloxy)propanenitrile
CID 63907748
N-[2-(2,4-difluorophenoxy)ethyl]cyclopentanamine
CID 62570847
2-cyclopropyl-3-(2,3-dimethylphenoxy)-2-(methylamino)propanenitrile
CID 63906504
2-cyclopropyl-3-(2-methoxyphenoxy)-2-(propylamino)propanenitrile
CID 63906303
1-[2-(2,4-difluorophenoxy)-1,1-difluoroethoxy]-2,4-difluorobenzene
CID 130313798

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-(2,4-difluorophenoxy)propanenitrile?
The IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-(2,4-difluorophenoxy)propanenitrile (CID 63905680) is 2-cyclopropyl-2-(cyclopropylamino)-3-(2,4-difluorophenoxy)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-2-(cyclopropylamino)-3-(2,4-difluorophenoxy)propanenitrile?
The canonical SMILES for 2-cyclopropyl-2-(cyclopropylamino)-3-(2,4-difluorophenoxy)propanenitrile is N#CC(COc1ccc(F)cc1F)(NC1CC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(cyclopropylamino)-3-(2,4-difluorophenoxy)propanenitrile?
The InChIKey is XOGSZJGQDYFGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O/c16-11-3-6-14(13(17)7-11)20-9-15(8-18,10-1-2-10)19-12-4-5-12/h3,6-7,10,12,19H,1-2,4-5,9H2.
What are the key properties of 2-cyclopropyl-2-(cyclopropylamino)-3-(2,4-difluorophenoxy)propanenitrile?
2-cyclopropyl-2-(cyclopropylamino)-3-(2,4-difluorophenoxy)propanenitrile has a molecular weight of 278.30 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(cyclopropylamino)-3-(2,4-difluorophenoxy)propanenitrile is sourced from PubChem (CID 63905680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).