3-[3-(methoxymethyl)phenoxy]-1-(methylamino)cyclopentane-1-carbonitrile

C15H20N2O2 — CID 79650688

IUPAC3-[3-(methoxymethyl)phenoxy]-1-(methylamino)cyclopentane-1-carbonitrile
SMILESCNC1(C#N)CCC(Oc2cccc(COC)c2)C1
InChIInChI=1S/C15H20N2O2/c1-17-15(11-16)7-6-14(9-15)19-13-5-3-4-12(8-13)10-18-2/h3-5,8,14,17H,6-7,9-10H2,1-2H3
InChIKeyNRQBICXVZXERFU-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.25
Rot. Bonds5

About 3-[3-(methoxymethyl)phenoxy]-1-(methylamino)cyclopentane-1-carbonitrile

3-[3-(methoxymethyl)phenoxy]-1-(methylamino)cyclopentane-1-carbonitrile (PubChem CID 79650688) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-[3-(methoxymethyl)phenoxy]-1-(methylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-[3-(methoxymethyl)phenoxy]-1-(methylamino)cyclopentane-1-carbonitrile
PubChem CID79650688
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-[3-(methoxymethyl)phenoxy]-1-(methylamino)cyclopentane-1-carbonitrile
SMILESCNC1(C#N)CCC(Oc2cccc(COC)c2)C1
InChIInChI=1S/C15H20N2O2/c1-17-15(11-16)7-6-14(9-15)19-13-5-3-4-12(8-13)10-18-2/h3-5,8,14,17H,6-7,9-10H2,1-2H3
InChIKeyNRQBICXVZXERFU-UHFFFAOYSA-N
XLogP2.25
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(methoxymethyl)phenoxy]-1-(methylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 3-[3-(methoxymethyl)phenoxy]-1-(methylamino)cyclopentane-1-carbonitrile (CID 79650688) is 3-[3-(methoxymethyl)phenoxy]-1-(methylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-[3-(methoxymethyl)phenoxy]-1-(methylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 3-[3-(methoxymethyl)phenoxy]-1-(methylamino)cyclopentane-1-carbonitrile is CNC1(C#N)CCC(Oc2cccc(COC)c2)C1.
What is the InChIKey of 3-[3-(methoxymethyl)phenoxy]-1-(methylamino)cyclopentane-1-carbonitrile?
The InChIKey is NRQBICXVZXERFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-17-15(11-16)7-6-14(9-15)19-13-5-3-4-12(8-13)10-18-2/h3-5,8,14,17H,6-7,9-10H2,1-2H3.
What are the key properties of 3-[3-(methoxymethyl)phenoxy]-1-(methylamino)cyclopentane-1-carbonitrile?
3-[3-(methoxymethyl)phenoxy]-1-(methylamino)cyclopentane-1-carbonitrile has a molecular weight of 260.34 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methoxymethyl)phenoxy]-1-(methylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79650688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).