2-(2-methoxyphenyl)-3-morpholin-4-ylpropanenitrile

C14H18N2O2 — CID 82086146

IUPAC2-(2-methoxyphenyl)-3-morpholin-4-ylpropanenitrile
SMILESCOc1ccccc1C(C#N)CN1CCOCC1
InChIInChI=1S/C14H18N2O2/c1-17-14-5-3-2-4-13(14)12(10-15)11-16-6-8-18-9-7-16/h2-5,12H,6-9,11H2,1H3
InChIKeyTTXKJPXAMQZORO-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.63
Rot. Bonds4

About 2-(2-methoxyphenyl)-3-morpholin-4-ylpropanenitrile

2-(2-methoxyphenyl)-3-morpholin-4-ylpropanenitrile (PubChem CID 82086146) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-3-morpholin-4-ylpropanenitrile.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-3-morpholin-4-ylpropanenitrile
PubChem CID82086146
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-(2-methoxyphenyl)-3-morpholin-4-ylpropanenitrile
SMILESCOc1ccccc1C(C#N)CN1CCOCC1
InChIInChI=1S/C14H18N2O2/c1-17-14-5-3-2-4-13(14)12(10-15)11-16-6-8-18-9-7-16/h2-5,12H,6-9,11H2,1H3
InChIKeyTTXKJPXAMQZORO-UHFFFAOYSA-N
XLogP1.63
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanenitrile
CID 82089920
2-(2-methoxyphenyl)-3-morpholin-4-ylpropanoic acid
CID 82091723
3-(2-methoxyphenyl)-2-morpholin-4-ylpropanenitrile
CID 82086119
3-amino-2-(2-methoxyphenyl)propanenitrile
CID 82503443
2-(5-chloro-2-methoxyphenyl)-3-pyrrolidin-1-ylpropanenitrile
CID 82091614
2-(2-methyl-5-nitrophenyl)-3-morpholin-4-ylpropanenitrile;hydrochloride
CID 134086456
1-(2,5-dimethoxyphenyl)-2-morpholin-4-ylethanamine
CID 16780959
3-cyano-3-(2-methoxyphenyl)-N-methylpropanamide
CID 82127316
1-(2-ethoxyphenyl)-2-(1,4-oxazepan-4-yl)ethanamine
CID 62988321
2-(2-methoxyphenyl)-3-pyridin-4-ylpropanenitrile
CID 82084081
3-methoxy-2-(2-morpholin-4-ylethoxy)benzonitrile
CID 22685973
4-[2-cyano-2-(2-methoxyphenyl)ethyl]benzoic acid
CID 82139690

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-3-morpholin-4-ylpropanenitrile?
The IUPAC name of 2-(2-methoxyphenyl)-3-morpholin-4-ylpropanenitrile (CID 82086146) is 2-(2-methoxyphenyl)-3-morpholin-4-ylpropanenitrile.
What is the SMILES notation for 2-(2-methoxyphenyl)-3-morpholin-4-ylpropanenitrile?
The canonical SMILES for 2-(2-methoxyphenyl)-3-morpholin-4-ylpropanenitrile is COc1ccccc1C(C#N)CN1CCOCC1.
What is the InChIKey of 2-(2-methoxyphenyl)-3-morpholin-4-ylpropanenitrile?
The InChIKey is TTXKJPXAMQZORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-17-14-5-3-2-4-13(14)12(10-15)11-16-6-8-18-9-7-16/h2-5,12H,6-9,11H2,1H3.
What are the key properties of 2-(2-methoxyphenyl)-3-morpholin-4-ylpropanenitrile?
2-(2-methoxyphenyl)-3-morpholin-4-ylpropanenitrile has a molecular weight of 246.31 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-3-morpholin-4-ylpropanenitrile is sourced from PubChem (CID 82086146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).