3-[[2-(methylamino)cyclohexyl]oxymethyl]benzonitrile

C15H20N2O — CID 102633171

IUPAC3-[[2-(methylamino)cyclohexyl]oxymethyl]benzonitrile
SMILESCNC1CCCCC1OCc1cccc(C#N)c1
InChIInChI=1S/C15H20N2O/c1-17-14-7-2-3-8-15(14)18-11-13-6-4-5-12(9-13)10-16/h4-6,9,14-15,17H,2-3,7-8,11H2,1H3
InChIKeyPRIOTONBURRLIQ-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.61
Rot. Bonds4

About 3-[[2-(methylamino)cyclohexyl]oxymethyl]benzonitrile

3-[[2-(methylamino)cyclohexyl]oxymethyl]benzonitrile (PubChem CID 102633171) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-[[2-(methylamino)cyclohexyl]oxymethyl]benzonitrile.

Molecular Properties

Compound Name3-[[2-(methylamino)cyclohexyl]oxymethyl]benzonitrile
PubChem CID102633171
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name3-[[2-(methylamino)cyclohexyl]oxymethyl]benzonitrile
SMILESCNC1CCCCC1OCc1cccc(C#N)c1
InChIInChI=1S/C15H20N2O/c1-17-14-7-2-3-8-15(14)18-11-13-6-4-5-12(9-13)10-16/h4-6,9,14-15,17H,2-3,7-8,11H2,1H3
InChIKeyPRIOTONBURRLIQ-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(methylamino)cyclohexyl]oxymethyl]benzonitrile?
The IUPAC name of 3-[[2-(methylamino)cyclohexyl]oxymethyl]benzonitrile (CID 102633171) is 3-[[2-(methylamino)cyclohexyl]oxymethyl]benzonitrile.
What is the SMILES notation for 3-[[2-(methylamino)cyclohexyl]oxymethyl]benzonitrile?
The canonical SMILES for 3-[[2-(methylamino)cyclohexyl]oxymethyl]benzonitrile is CNC1CCCCC1OCc1cccc(C#N)c1.
What is the InChIKey of 3-[[2-(methylamino)cyclohexyl]oxymethyl]benzonitrile?
The InChIKey is PRIOTONBURRLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-17-14-7-2-3-8-15(14)18-11-13-6-4-5-12(9-13)10-16/h4-6,9,14-15,17H,2-3,7-8,11H2,1H3.
What are the key properties of 3-[[2-(methylamino)cyclohexyl]oxymethyl]benzonitrile?
3-[[2-(methylamino)cyclohexyl]oxymethyl]benzonitrile has a molecular weight of 244.34 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(methylamino)cyclohexyl]oxymethyl]benzonitrile is sourced from PubChem (CID 102633171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).