3-(3-ethoxyphenyl)-2-methyl-2-morpholin-4-ylpropanenitrile

C16H22N2O2 — CID 82093664

IUPAC3-(3-ethoxyphenyl)-2-methyl-2-morpholin-4-ylpropanenitrile
SMILESCCOc1cccc(CC(C)(C#N)N2CCOCC2)c1
InChIInChI=1S/C16H22N2O2/c1-3-20-15-6-4-5-14(11-15)12-16(2,13-17)18-7-9-19-10-8-18/h4-6,11H,3,7-10,12H2,1-2H3
InChIKeyAJXRFGWGQOPABS-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.24
Rot. Bonds5

About 3-(3-ethoxyphenyl)-2-methyl-2-morpholin-4-ylpropanenitrile

3-(3-ethoxyphenyl)-2-methyl-2-morpholin-4-ylpropanenitrile (PubChem CID 82093664) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-(3-ethoxyphenyl)-2-methyl-2-morpholin-4-ylpropanenitrile.

Molecular Properties

Compound Name3-(3-ethoxyphenyl)-2-methyl-2-morpholin-4-ylpropanenitrile
PubChem CID82093664
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-(3-ethoxyphenyl)-2-methyl-2-morpholin-4-ylpropanenitrile
SMILESCCOc1cccc(CC(C)(C#N)N2CCOCC2)c1
InChIInChI=1S/C16H22N2O2/c1-3-20-15-6-4-5-14(11-15)12-16(2,13-17)18-7-9-19-10-8-18/h4-6,11H,3,7-10,12H2,1-2H3
InChIKeyAJXRFGWGQOPABS-UHFFFAOYSA-N
XLogP2.24
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
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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Related Compounds

2-methyl-2-morpholin-4-yl-3-pyridin-3-ylpropanenitrile
CID 82082122
3-(4-bromophenyl)-2-methyl-2-morpholin-4-ylpropanenitrile
CID 82095044
3-[4-(dimethylamino)phenyl]-2-methyl-2-morpholin-4-ylpropanenitrile
CID 82093562
2-(azepan-1-yl)-3-(3-hydroxyphenyl)-2-methylpropanenitrile
CID 84751674
3-(3-ethoxyphenyl)-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine
CID 84752180
3-(3-methoxyphenyl)-2-methyl-2-(3-methylpiperidin-1-yl)propanenitrile
CID 84751708
4-[[(2R,5S)-5-[(3-ethoxyphenyl)methyl]oxolan-2-yl]methyl]morpholine
CID 50972297
3-(4-ethoxyphenyl)-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 84752230
3-(3-ethoxy-2-hydroxyphenyl)-2-methyl-2-piperidin-1-ylpropanenitrile
CID 84750326
2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)-3-[(3-propoxyphenyl)methyl]guanidine
CID 111314882
2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)-3-[(3-propoxyphenyl)methyl]guanidine;hydroiodide
CID 111314881
2-methyl-3-pyridin-3-yl-2-pyrrolidin-1-ylpropanenitrile
CID 82078667

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxyphenyl)-2-methyl-2-morpholin-4-ylpropanenitrile?
The IUPAC name of 3-(3-ethoxyphenyl)-2-methyl-2-morpholin-4-ylpropanenitrile (CID 82093664) is 3-(3-ethoxyphenyl)-2-methyl-2-morpholin-4-ylpropanenitrile.
What is the SMILES notation for 3-(3-ethoxyphenyl)-2-methyl-2-morpholin-4-ylpropanenitrile?
The canonical SMILES for 3-(3-ethoxyphenyl)-2-methyl-2-morpholin-4-ylpropanenitrile is CCOc1cccc(CC(C)(C#N)N2CCOCC2)c1.
What is the InChIKey of 3-(3-ethoxyphenyl)-2-methyl-2-morpholin-4-ylpropanenitrile?
The InChIKey is AJXRFGWGQOPABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-20-15-6-4-5-14(11-15)12-16(2,13-17)18-7-9-19-10-8-18/h4-6,11H,3,7-10,12H2,1-2H3.
What are the key properties of 3-(3-ethoxyphenyl)-2-methyl-2-morpholin-4-ylpropanenitrile?
3-(3-ethoxyphenyl)-2-methyl-2-morpholin-4-ylpropanenitrile has a molecular weight of 274.36 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxyphenyl)-2-methyl-2-morpholin-4-ylpropanenitrile is sourced from PubChem (CID 82093664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).