2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylacetonitrile

C14H18N2O3 — CID 10945240

IUPAC2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylacetonitrile
SMILESCOc1ccc(C(C#N)N2CCOCC2)cc1OC
InChIInChI=1S/C14H18N2O3/c1-17-13-4-3-11(9-14(13)18-2)12(10-15)16-5-7-19-8-6-16/h3-4,9,12H,5-8H2,1-2H3
InChIKeyOWTSANYWIHFQRL-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.60
Rot. Bonds4

About 2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylacetonitrile

2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylacetonitrile (PubChem CID 10945240) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylacetonitrile.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylacetonitrile
PubChem CID10945240
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylacetonitrile
SMILESCOc1ccc(C(C#N)N2CCOCC2)cc1OC
InChIInChI=1S/C14H18N2O3/c1-17-13-4-3-11(9-14(13)18-2)12(10-15)16-5-7-19-8-6-16/h3-4,9,12H,5-8H2,1-2H3
InChIKeyOWTSANYWIHFQRL-UHFFFAOYSA-N
XLogP1.60
TPSA54.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylacetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[4-[(R)-cyano-(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-2-(3,4-dimethoxyphenyl)acetonitrile
CID 28503663
5-[cyano(morpholin-4-yl)methyl]-2-methoxybenzonitrile
CID 65340879
2-[4-[cyano-(3,4-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]-2-(3,4-dimethoxyphenyl)acetonitrile
CID 54298422
2-(3,4-dimethoxyphenyl)-2-(3,5-dimethylpiperidin-1-yl)acetonitrile
CID 84756670
2-(4-ethoxy-3-methoxyphenyl)-2-piperidin-1-ylacetonitrile
CID 3161849
2-(3-bromo-4-methoxyphenyl)-2-piperidin-1-ylacetonitrile
CID 61036586
2-(4-ethylpiperazin-1-yl)-2-(4-methoxy-3-propan-2-yloxyphenyl)acetonitrile
CID 112540127
(2R)-2-(4-bromophenyl)-2-morpholin-4-ylacetonitrile
CID 703306
2-(4-chlorophenyl)-2-morpholin-4-ylacetonitrile
CID 591795
5-[cyano-(4-methylpiperazin-1-yl)methyl]-2-methoxybenzonitrile
CID 65420538
2-(3-hydroxy-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)acetonitrile
CID 65419662
2-(3-chloro-4-fluorophenyl)-2-morpholin-4-ylacetonitrile
CID 67533209

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylacetonitrile?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylacetonitrile (CID 10945240) is 2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylacetonitrile.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylacetonitrile?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylacetonitrile is COc1ccc(C(C#N)N2CCOCC2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylacetonitrile?
The InChIKey is OWTSANYWIHFQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-17-13-4-3-11(9-14(13)18-2)12(10-15)16-5-7-19-8-6-16/h3-4,9,12H,5-8H2,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylacetonitrile?
2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylacetonitrile has a molecular weight of 262.31 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylacetonitrile is sourced from PubChem (CID 10945240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).