3-(4-ethylphenoxy)-1-(methylamino)cyclopentane-1-carbonitrile

C15H20N2O — CID 79650115

IUPAC3-(4-ethylphenoxy)-1-(methylamino)cyclopentane-1-carbonitrile
SMILESCCc1ccc(OC2CCC(C#N)(NC)C2)cc1
InChIInChI=1S/C15H20N2O/c1-3-12-4-6-13(7-5-12)18-14-8-9-15(10-14,11-16)17-2/h4-7,14,17H,3,8-10H2,1-2H3
InChIKeyLTXWDPSIODSTLS-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.66
Rot. Bonds4

About 3-(4-ethylphenoxy)-1-(methylamino)cyclopentane-1-carbonitrile

3-(4-ethylphenoxy)-1-(methylamino)cyclopentane-1-carbonitrile (PubChem CID 79650115) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-(4-ethylphenoxy)-1-(methylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-(4-ethylphenoxy)-1-(methylamino)cyclopentane-1-carbonitrile
PubChem CID79650115
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name3-(4-ethylphenoxy)-1-(methylamino)cyclopentane-1-carbonitrile
SMILESCCc1ccc(OC2CCC(C#N)(NC)C2)cc1
InChIInChI=1S/C15H20N2O/c1-3-12-4-6-13(7-5-12)18-14-8-9-15(10-14,11-16)17-2/h4-7,14,17H,3,8-10H2,1-2H3
InChIKeyLTXWDPSIODSTLS-UHFFFAOYSA-N
XLogP2.66
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenoxy)-1-(methylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 3-(4-ethylphenoxy)-1-(methylamino)cyclopentane-1-carbonitrile (CID 79650115) is 3-(4-ethylphenoxy)-1-(methylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-(4-ethylphenoxy)-1-(methylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 3-(4-ethylphenoxy)-1-(methylamino)cyclopentane-1-carbonitrile is CCc1ccc(OC2CCC(C#N)(NC)C2)cc1.
What is the InChIKey of 3-(4-ethylphenoxy)-1-(methylamino)cyclopentane-1-carbonitrile?
The InChIKey is LTXWDPSIODSTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-3-12-4-6-13(7-5-12)18-14-8-9-15(10-14,11-16)17-2/h4-7,14,17H,3,8-10H2,1-2H3.
What are the key properties of 3-(4-ethylphenoxy)-1-(methylamino)cyclopentane-1-carbonitrile?
3-(4-ethylphenoxy)-1-(methylamino)cyclopentane-1-carbonitrile has a molecular weight of 244.34 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenoxy)-1-(methylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79650115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).