2-[4-[2-[methyl-(2-methyloxolan-3-yl)amino]ethoxy]phenyl]acetonitrile

C16H22N2O2 — CID 82738252

IUPAC2-[4-[2-[methyl-(2-methyloxolan-3-yl)amino]ethoxy]phenyl]acetonitrile
SMILESCC1OCCC1N(C)CCOc1ccc(CC#N)cc1
InChIInChI=1S/C16H22N2O2/c1-13-16(8-11-19-13)18(2)10-12-20-15-5-3-14(4-6-15)7-9-17/h3-6,13,16H,7-8,10-12H2,1-2H3
InChIKeyGAXNILDDTKUPIE-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.24
Rot. Bonds6

About 2-[4-[2-[methyl-(2-methyloxolan-3-yl)amino]ethoxy]phenyl]acetonitrile

2-[4-[2-[methyl-(2-methyloxolan-3-yl)amino]ethoxy]phenyl]acetonitrile (PubChem CID 82738252) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-[4-[2-[methyl-(2-methyloxolan-3-yl)amino]ethoxy]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[2-[methyl-(2-methyloxolan-3-yl)amino]ethoxy]phenyl]acetonitrile
PubChem CID82738252
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-[4-[2-[methyl-(2-methyloxolan-3-yl)amino]ethoxy]phenyl]acetonitrile
SMILESCC1OCCC1N(C)CCOc1ccc(CC#N)cc1
InChIInChI=1S/C16H22N2O2/c1-13-16(8-11-19-13)18(2)10-12-20-15-5-3-14(4-6-15)7-9-17/h3-6,13,16H,7-8,10-12H2,1-2H3
InChIKeyGAXNILDDTKUPIE-UHFFFAOYSA-N
XLogP2.24
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[methyl-(2-methyloxolan-3-yl)amino]ethoxy]phenyl]acetonitrile?
The IUPAC name of 2-[4-[2-[methyl-(2-methyloxolan-3-yl)amino]ethoxy]phenyl]acetonitrile (CID 82738252) is 2-[4-[2-[methyl-(2-methyloxolan-3-yl)amino]ethoxy]phenyl]acetonitrile.
What is the SMILES notation for 2-[4-[2-[methyl-(2-methyloxolan-3-yl)amino]ethoxy]phenyl]acetonitrile?
The canonical SMILES for 2-[4-[2-[methyl-(2-methyloxolan-3-yl)amino]ethoxy]phenyl]acetonitrile is CC1OCCC1N(C)CCOc1ccc(CC#N)cc1.
What is the InChIKey of 2-[4-[2-[methyl-(2-methyloxolan-3-yl)amino]ethoxy]phenyl]acetonitrile?
The InChIKey is GAXNILDDTKUPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-13-16(8-11-19-13)18(2)10-12-20-15-5-3-14(4-6-15)7-9-17/h3-6,13,16H,7-8,10-12H2,1-2H3.
What are the key properties of 2-[4-[2-[methyl-(2-methyloxolan-3-yl)amino]ethoxy]phenyl]acetonitrile?
2-[4-[2-[methyl-(2-methyloxolan-3-yl)amino]ethoxy]phenyl]acetonitrile has a molecular weight of 274.36 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[methyl-(2-methyloxolan-3-yl)amino]ethoxy]phenyl]acetonitrile is sourced from PubChem (CID 82738252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).