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

C14H18N2O2 — CID 82086119

IUPAC3-(2-methoxyphenyl)-2-morpholin-4-ylpropanenitrile
SMILESCOc1ccccc1CC(C#N)N1CCOCC1
InChIInChI=1S/C14H18N2O2/c1-17-14-5-3-2-4-12(14)10-13(11-15)16-6-8-18-9-7-16/h2-5,13H,6-10H2,1H3
InChIKeyUPCYOSKTPHJXRW-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.46
Rot. Bonds4

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

3-(2-methoxyphenyl)-2-morpholin-4-ylpropanenitrile (PubChem CID 82086119) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-2-morpholin-4-ylpropanenitrile.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-2-morpholin-4-ylpropanenitrile
PubChem CID82086119
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name3-(2-methoxyphenyl)-2-morpholin-4-ylpropanenitrile
SMILESCOc1ccccc1CC(C#N)N1CCOCC1
InChIInChI=1S/C14H18N2O2/c1-17-14-5-3-2-4-12(14)10-13(11-15)16-6-8-18-9-7-16/h2-5,13H,6-10H2,1H3
InChIKeyUPCYOSKTPHJXRW-UHFFFAOYSA-N
XLogP1.46
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 ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenyl)-3-morpholin-4-ylpropanenitrile
CID 82086146
2-(2-chloro-6-methoxyphenyl)-2-morpholin-4-ylacetonitrile
CID 113456484
N-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]morpholine-4-carboxamide
CID 71864458
N-[(2S)-1-(2-methoxyphenyl)-3-methylbutan-2-yl]morpholine-4-carboxamide
CID 96525041
2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylacetonitrile
CID 10945240
4-[1-(2-methoxy-5-methylphenyl)propan-2-yl]morpholine;hydrochloride
CID 3063666
2-(2-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)ethanamine
CID 70230492
(2R)-2-morpholin-4-ylbutanedinitrile
CID 92856315
1-[(2-methoxyphenyl)methyl]-2-methyl-3-(2-morpholin-4-yl-2-phenylethyl)guanidine
CID 111218023
3-(2-methoxyphenyl)-2-methylpropan-1-amine
CID 22024848
N-[(2-methoxyphenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 28625170
5-[cyano(morpholin-4-yl)methyl]-2-methoxybenzonitrile
CID 65340879

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-2-morpholin-4-ylpropanenitrile?
The IUPAC name of 3-(2-methoxyphenyl)-2-morpholin-4-ylpropanenitrile (CID 82086119) is 3-(2-methoxyphenyl)-2-morpholin-4-ylpropanenitrile.
What is the SMILES notation for 3-(2-methoxyphenyl)-2-morpholin-4-ylpropanenitrile?
The canonical SMILES for 3-(2-methoxyphenyl)-2-morpholin-4-ylpropanenitrile is COc1ccccc1CC(C#N)N1CCOCC1.
What is the InChIKey of 3-(2-methoxyphenyl)-2-morpholin-4-ylpropanenitrile?
The InChIKey is UPCYOSKTPHJXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-17-14-5-3-2-4-12(14)10-13(11-15)16-6-8-18-9-7-16/h2-5,13H,6-10H2,1H3.
What are the key properties of 3-(2-methoxyphenyl)-2-morpholin-4-ylpropanenitrile?
3-(2-methoxyphenyl)-2-morpholin-4-ylpropanenitrile has a molecular weight of 246.31 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-2-morpholin-4-ylpropanenitrile is sourced from PubChem (CID 82086119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).