2-(2,4-dimethylphenyl)-2-morpholin-4-ylacetonitrile

C14H18N2O — CID 43803033

IUPAC2-(2,4-dimethylphenyl)-2-morpholin-4-ylacetonitrile
SMILESCc1ccc(C(C#N)N2CCOCC2)c(C)c1
InChIInChI=1S/C14H18N2O/c1-11-3-4-13(12(2)9-11)14(10-15)16-5-7-17-8-6-16/h3-4,9,14H,5-8H2,1-2H3
InChIKeySNAAEURUEAETIY-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.20
Rot. Bonds2

About 2-(2,4-dimethylphenyl)-2-morpholin-4-ylacetonitrile

2-(2,4-dimethylphenyl)-2-morpholin-4-ylacetonitrile (PubChem CID 43803033) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-2-morpholin-4-ylacetonitrile.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-2-morpholin-4-ylacetonitrile
PubChem CID43803033
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-(2,4-dimethylphenyl)-2-morpholin-4-ylacetonitrile
SMILESCc1ccc(C(C#N)N2CCOCC2)c(C)c1
InChIInChI=1S/C14H18N2O/c1-11-3-4-13(12(2)9-11)14(10-15)16-5-7-17-8-6-16/h3-4,9,14H,5-8H2,1-2H3
InChIKeySNAAEURUEAETIY-UHFFFAOYSA-N
XLogP2.20
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-hydroxy-5-methylphenyl)-2-morpholin-4-ylacetonitrile
CID 84757665
2-(2,5-dimethylphenyl)-2-(4-methylpiperazin-1-yl)acetonitrile
CID 65420308
2-(1,5-dimethylpyrazol-4-yl)-2-morpholin-4-ylacetonitrile
CID 79583834
2-(2-fluorophenyl)-2-morpholin-4-ylacetonitrile;hydrochloride
CID 45261443
2-(2-hydroxy-5-methylphenyl)-2-pyrrolidin-1-ylacetonitrile
CID 84757120
2-(4-chlorophenyl)-2-morpholin-4-ylacetonitrile
CID 591795
(2R)-2-(4-bromophenyl)-2-morpholin-4-ylacetonitrile
CID 703306
2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylacetonitrile
CID 10945240
2-(4-acetylpiperazin-1-yl)-2-(2-hydroxy-5-methylphenyl)acetonitrile
CID 84757655
5-[cyano(morpholin-4-yl)methyl]-2-methoxybenzonitrile
CID 65340879
2-(3-chloro-4-fluorophenyl)-2-morpholin-4-ylacetonitrile
CID 67533209
2-(4-bromo-2-methyl-1H-imidazol-5-yl)-2-morpholin-4-ylacetonitrile
CID 84743603

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-2-morpholin-4-ylacetonitrile?
The IUPAC name of 2-(2,4-dimethylphenyl)-2-morpholin-4-ylacetonitrile (CID 43803033) is 2-(2,4-dimethylphenyl)-2-morpholin-4-ylacetonitrile.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-2-morpholin-4-ylacetonitrile?
The canonical SMILES for 2-(2,4-dimethylphenyl)-2-morpholin-4-ylacetonitrile is Cc1ccc(C(C#N)N2CCOCC2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-2-morpholin-4-ylacetonitrile?
The InChIKey is SNAAEURUEAETIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-11-3-4-13(12(2)9-11)14(10-15)16-5-7-17-8-6-16/h3-4,9,14H,5-8H2,1-2H3.
What are the key properties of 2-(2,4-dimethylphenyl)-2-morpholin-4-ylacetonitrile?
2-(2,4-dimethylphenyl)-2-morpholin-4-ylacetonitrile has a molecular weight of 230.31 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-2-morpholin-4-ylacetonitrile is sourced from PubChem (CID 43803033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).