4-(2,2-dimethylmorpholin-4-yl)-2-methylbenzonitrile

C14H18N2O — CID 81282144

IUPAC4-(2,2-dimethylmorpholin-4-yl)-2-methylbenzonitrile
SMILESCc1cc(N2CCOC(C)(C)C2)ccc1C#N
InChIInChI=1S/C14H18N2O/c1-11-8-13(5-4-12(11)9-15)16-6-7-17-14(2,3)10-16/h4-5,8H,6-7,10H2,1-3H3
InChIKeyVECVCZWOZIAJNT-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.48
Rot. Bonds1

About 4-(2,2-dimethylmorpholin-4-yl)-2-methylbenzonitrile

4-(2,2-dimethylmorpholin-4-yl)-2-methylbenzonitrile (PubChem CID 81282144) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-(2,2-dimethylmorpholin-4-yl)-2-methylbenzonitrile.

Molecular Properties

Compound Name4-(2,2-dimethylmorpholin-4-yl)-2-methylbenzonitrile
PubChem CID81282144
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name4-(2,2-dimethylmorpholin-4-yl)-2-methylbenzonitrile
SMILESCc1cc(N2CCOC(C)(C)C2)ccc1C#N
InChIInChI=1S/C14H18N2O/c1-11-8-13(5-4-12(11)9-15)16-6-7-17-14(2,3)10-16/h4-5,8H,6-7,10H2,1-3H3
InChIKeyVECVCZWOZIAJNT-UHFFFAOYSA-N
XLogP2.48
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(2,2-dimethylmorpholin-4-yl)-2-methylbenzonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylmorpholin-4-yl)-2-methylbenzonitrile?
The IUPAC name of 4-(2,2-dimethylmorpholin-4-yl)-2-methylbenzonitrile (CID 81282144) is 4-(2,2-dimethylmorpholin-4-yl)-2-methylbenzonitrile.
What is the SMILES notation for 4-(2,2-dimethylmorpholin-4-yl)-2-methylbenzonitrile?
The canonical SMILES for 4-(2,2-dimethylmorpholin-4-yl)-2-methylbenzonitrile is Cc1cc(N2CCOC(C)(C)C2)ccc1C#N.
What is the InChIKey of 4-(2,2-dimethylmorpholin-4-yl)-2-methylbenzonitrile?
The InChIKey is VECVCZWOZIAJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-11-8-13(5-4-12(11)9-15)16-6-7-17-14(2,3)10-16/h4-5,8H,6-7,10H2,1-3H3.
What are the key properties of 4-(2,2-dimethylmorpholin-4-yl)-2-methylbenzonitrile?
4-(2,2-dimethylmorpholin-4-yl)-2-methylbenzonitrile has a molecular weight of 230.31 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylmorpholin-4-yl)-2-methylbenzonitrile is sourced from PubChem (CID 81282144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).