2-[2-(2,6-difluorophenoxy)ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile

C16H20F2N2O — CID 81265068

IUPAC2-[2-(2,6-difluorophenoxy)ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile
SMILESCCNC1(C#N)CCCC1CCOc1c(F)cccc1F
InChIInChI=1S/C16H20F2N2O/c1-2-20-16(11-19)9-4-5-12(16)8-10-21-15-13(17)6-3-7-14(15)18/h3,6-7,12,20H,2,4-5,8-10H2,1H3
InChIKeyXWRONPZSNSXTKD-UHFFFAOYSA-N
MW294.34 g/mol
LogP3.41
Rot. Bonds6

About 2-[2-(2,6-difluorophenoxy)ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile

2-[2-(2,6-difluorophenoxy)ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile (PubChem CID 81265068) has the molecular formula C16H20F2N2O and a molecular weight of 294.34 g/mol. Its IUPAC name is 2-[2-(2,6-difluorophenoxy)ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[2-(2,6-difluorophenoxy)ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile
PubChem CID81265068
Molecular FormulaC16H20F2N2O
Molecular Weight294.34 g/mol
Exact Mass294.15
IUPAC Name2-[2-(2,6-difluorophenoxy)ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile
SMILESCCNC1(C#N)CCCC1CCOc1c(F)cccc1F
InChIInChI=1S/C16H20F2N2O/c1-2-20-16(11-19)9-4-5-12(16)8-10-21-15-13(17)6-3-7-14(15)18/h3,6-7,12,20H,2,4-5,8-10H2,1H3
InChIKeyXWRONPZSNSXTKD-UHFFFAOYSA-N
XLogP3.41
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(ethylamino)-2-[2-(N-methylanilino)ethyl]cyclopentane-1-carbonitrile
CID 79565614
2-[2-(4-methylphenoxy)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79576518
2-[2-(3-ethylphenoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79573048
1-(methylamino)-2-[2-(2,4,6-trimethylphenoxy)ethyl]cyclopentane-1-carbonitrile
CID 79576909
2-[2-[(5-chloro-2-pyridinyl)sulfanyl]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79575862
2-[2-(3-bromophenyl)sulfanylethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79577847
2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79565829
2-[2-[2,2-dimethylpropyl(methyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79565774
1-(ethylamino)-2-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carbonitrile
CID 79576477
2-(2-pentoxyethyl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79576809
2-[2-(2,2-difluoroethoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 82006574
1-(cyclopropylamino)-2-[2-(2-ethoxyethoxy)ethyl]cyclopentane-1-carbonitrile
CID 79572034

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-difluorophenoxy)ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-[2-(2,6-difluorophenoxy)ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile (CID 81265068) is 2-[2-(2,6-difluorophenoxy)ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[2-(2,6-difluorophenoxy)ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[2-(2,6-difluorophenoxy)ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile is CCNC1(C#N)CCCC1CCOc1c(F)cccc1F.
What is the InChIKey of 2-[2-(2,6-difluorophenoxy)ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile?
The InChIKey is XWRONPZSNSXTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O/c1-2-20-16(11-19)9-4-5-12(16)8-10-21-15-13(17)6-3-7-14(15)18/h3,6-7,12,20H,2,4-5,8-10H2,1H3.
What are the key properties of 2-[2-(2,6-difluorophenoxy)ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile?
2-[2-(2,6-difluorophenoxy)ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile has a molecular weight of 294.34 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-difluorophenoxy)ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 81265068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).