3-(3-ethoxyphenoxy)-1-(ethylamino)cyclopentane-1-carbonitrile

C16H22N2O2 — CID 79650285

IUPAC3-(3-ethoxyphenoxy)-1-(ethylamino)cyclopentane-1-carbonitrile
SMILESCCNC1(C#N)CCC(Oc2cccc(OCC)c2)C1
InChIInChI=1S/C16H22N2O2/c1-3-18-16(12-17)9-8-15(11-16)20-14-7-5-6-13(10-14)19-4-2/h5-7,10,15,18H,3-4,8-9,11H2,1-2H3
InChIKeySVKRNWMZXCPMIL-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.89
Rot. Bonds6

About 3-(3-ethoxyphenoxy)-1-(ethylamino)cyclopentane-1-carbonitrile

3-(3-ethoxyphenoxy)-1-(ethylamino)cyclopentane-1-carbonitrile (PubChem CID 79650285) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-(3-ethoxyphenoxy)-1-(ethylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-(3-ethoxyphenoxy)-1-(ethylamino)cyclopentane-1-carbonitrile
PubChem CID79650285
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-(3-ethoxyphenoxy)-1-(ethylamino)cyclopentane-1-carbonitrile
SMILESCCNC1(C#N)CCC(Oc2cccc(OCC)c2)C1
InChIInChI=1S/C16H22N2O2/c1-3-18-16(12-17)9-8-15(11-16)20-14-7-5-6-13(10-14)19-4-2/h5-7,10,15,18H,3-4,8-9,11H2,1-2H3
InChIKeySVKRNWMZXCPMIL-UHFFFAOYSA-N
XLogP2.89
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(ethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)cyclopentane-1-carbonitrile
CID 79644348
3-(3,5-dimethylphenoxy)-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79649725
1-(ethylamino)-3-quinolin-7-yloxycyclopentane-1-carbonitrile
CID 107314628
3-(3-ethoxyphenoxy)-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79648163
1-(ethylamino)-3-naphthalen-1-yloxycyclopentane-1-carbonitrile
CID 79644351
1-(ethylamino)-3-(5-methyl-2-propan-2-ylphenoxy)cyclopentane-1-carbonitrile
CID 79644347
1-(ethylamino)-3-[2-(trifluoromethyl)phenoxy]cyclopentane-1-carbonitrile
CID 79638685
3-[3-(methoxymethyl)phenoxy]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79650688
3-(3-bromo-5-nitrophenoxy)-1-(ethylamino)cyclopentane-1-carbonitrile
CID 103589345
3-(3-ethoxyphenoxy)-N-ethylcyclopentan-1-amine
CID 79632753
1-(ethylamino)-3-(4-nitrophenoxy)cyclohexane-1-carbonitrile
CID 79628804
3-(3-ethoxyphenoxy)-N-ethylcyclohexan-1-amine
CID 79618027

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxyphenoxy)-1-(ethylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 3-(3-ethoxyphenoxy)-1-(ethylamino)cyclopentane-1-carbonitrile (CID 79650285) is 3-(3-ethoxyphenoxy)-1-(ethylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-(3-ethoxyphenoxy)-1-(ethylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 3-(3-ethoxyphenoxy)-1-(ethylamino)cyclopentane-1-carbonitrile is CCNC1(C#N)CCC(Oc2cccc(OCC)c2)C1.
What is the InChIKey of 3-(3-ethoxyphenoxy)-1-(ethylamino)cyclopentane-1-carbonitrile?
The InChIKey is SVKRNWMZXCPMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-18-16(12-17)9-8-15(11-16)20-14-7-5-6-13(10-14)19-4-2/h5-7,10,15,18H,3-4,8-9,11H2,1-2H3.
What are the key properties of 3-(3-ethoxyphenoxy)-1-(ethylamino)cyclopentane-1-carbonitrile?
3-(3-ethoxyphenoxy)-1-(ethylamino)cyclopentane-1-carbonitrile has a molecular weight of 274.36 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxyphenoxy)-1-(ethylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79650285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).