3-[2-[methyl-(2-methyloxolan-3-yl)amino]ethoxy]benzonitrile

C15H20N2O2 — CID 82738529

IUPAC3-[2-[methyl-(2-methyloxolan-3-yl)amino]ethoxy]benzonitrile
SMILESCC1OCCC1N(C)CCOc1cccc(C#N)c1
InChIInChI=1S/C15H20N2O2/c1-12-15(6-8-18-12)17(2)7-9-19-14-5-3-4-13(10-14)11-16/h3-5,10,12,15H,6-9H2,1-2H3
InChIKeyNORSEHIRORNFEF-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.05
Rot. Bonds5

About 3-[2-[methyl-(2-methyloxolan-3-yl)amino]ethoxy]benzonitrile

3-[2-[methyl-(2-methyloxolan-3-yl)amino]ethoxy]benzonitrile (PubChem CID 82738529) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-[2-[methyl-(2-methyloxolan-3-yl)amino]ethoxy]benzonitrile.

Molecular Properties

Compound Name3-[2-[methyl-(2-methyloxolan-3-yl)amino]ethoxy]benzonitrile
PubChem CID82738529
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-[2-[methyl-(2-methyloxolan-3-yl)amino]ethoxy]benzonitrile
SMILESCC1OCCC1N(C)CCOc1cccc(C#N)c1
InChIInChI=1S/C15H20N2O2/c1-12-15(6-8-18-12)17(2)7-9-19-14-5-3-4-13(10-14)11-16/h3-5,10,12,15H,6-9H2,1-2H3
InChIKeyNORSEHIRORNFEF-UHFFFAOYSA-N
XLogP2.05
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-hydroxy-3-[methyl-(2-methyloxolan-3-yl)amino]propoxy]benzonitrile
CID 82737579
3-[2-[cyclopropyl(methyl)amino]ethoxy]benzonitrile
CID 43288952
2-[4-[2-[methyl-(2-methyloxolan-3-yl)amino]ethoxy]phenyl]acetonitrile
CID 82738252
3-[2-[methyl-(3-methylcyclohexyl)amino]ethoxy]benzonitrile
CID 60969988
3-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethoxy]benzonitrile
CID 43288713
3-[3-[methyl-[(1R,2S)-2-methylsulfonylcyclopentyl]amino]propoxy]benzonitrile
CID 97061253
3-[2-[methyl(propan-2-yl)amino]ethoxy]benzonitrile
CID 43288705
N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N,2-dimethyloxolan-3-amine
CID 82734709
3-[2-[cyclobutylmethyl(ethyl)amino]ethoxy]benzonitrile
CID 107398684
2-[4-[2-[methyl-(2-methyloxolan-3-yl)amino]ethoxy]phenyl]acetic acid
CID 82735547
3-[2-(diethylamino)ethoxy]benzonitrile
CID 22683313
3-[3-[cyclopropylmethyl(ethyl)amino]propoxy]benzonitrile
CID 63955781

Frequently Asked Questions

What is the IUPAC name of 3-[2-[methyl-(2-methyloxolan-3-yl)amino]ethoxy]benzonitrile?
The IUPAC name of 3-[2-[methyl-(2-methyloxolan-3-yl)amino]ethoxy]benzonitrile (CID 82738529) is 3-[2-[methyl-(2-methyloxolan-3-yl)amino]ethoxy]benzonitrile.
What is the SMILES notation for 3-[2-[methyl-(2-methyloxolan-3-yl)amino]ethoxy]benzonitrile?
The canonical SMILES for 3-[2-[methyl-(2-methyloxolan-3-yl)amino]ethoxy]benzonitrile is CC1OCCC1N(C)CCOc1cccc(C#N)c1.
What is the InChIKey of 3-[2-[methyl-(2-methyloxolan-3-yl)amino]ethoxy]benzonitrile?
The InChIKey is NORSEHIRORNFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-12-15(6-8-18-12)17(2)7-9-19-14-5-3-4-13(10-14)11-16/h3-5,10,12,15H,6-9H2,1-2H3.
What are the key properties of 3-[2-[methyl-(2-methyloxolan-3-yl)amino]ethoxy]benzonitrile?
3-[2-[methyl-(2-methyloxolan-3-yl)amino]ethoxy]benzonitrile has a molecular weight of 260.34 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[methyl-(2-methyloxolan-3-yl)amino]ethoxy]benzonitrile is sourced from PubChem (CID 82738529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).