2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-5-methylbenzonitrile

C14H18N2O2 — CID 107927682

IUPAC2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-5-methylbenzonitrile
SMILESCc1ccc(N2CC(CO)OCC2C)c(C#N)c1
InChIInChI=1S/C14H18N2O2/c1-10-3-4-14(12(5-10)6-15)16-7-13(8-17)18-9-11(16)2/h3-5,11,13,17H,7-9H2,1-2H3
InChIKeyIOJQVTAVUWQSSW-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.45
Rot. Bonds2

About 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-5-methylbenzonitrile

2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-5-methylbenzonitrile (PubChem CID 107927682) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-5-methylbenzonitrile.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-5-methylbenzonitrile
PubChem CID107927682
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-5-methylbenzonitrile
SMILESCc1ccc(N2CC(CO)OCC2C)c(C#N)c1
InChIInChI=1S/C14H18N2O2/c1-10-3-4-14(12(5-10)6-15)16-7-13(8-17)18-9-11(16)2/h3-5,11,13,17H,7-9H2,1-2H3
InChIKeyIOJQVTAVUWQSSW-UHFFFAOYSA-N
XLogP1.45
TPSA56.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-5-methylbenzonitrile 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

2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-5-nitrobenzonitrile
CID 81219847
4-chloro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzonitrile
CID 81202955
2-chloro-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzonitrile
CID 81203842
2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-5-methylbenzenecarboximidamide
CID 107930580
[4-(4-amino-2-methylphenyl)-5-methylmorpholin-2-yl]methanol
CID 81206220
2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-5-methylbenzonitrile
CID 107927925
3-bromo-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenecarbothioamide
CID 82804864
1-[3-bromo-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]phenyl]ethanone
CID 81204142
3-chloro-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzaldehyde
CID 81205219
methyl 3-amino-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzoate
CID 81219672
[4-(4-bromo-2-nitrophenyl)-5-methylmorpholin-2-yl]methanol
CID 81218880
3-amino-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylbenzamide
CID 82999726

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-5-methylbenzonitrile?
The IUPAC name of 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-5-methylbenzonitrile (CID 107927682) is 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-5-methylbenzonitrile.
What is the SMILES notation for 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-5-methylbenzonitrile?
The canonical SMILES for 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-5-methylbenzonitrile is Cc1ccc(N2CC(CO)OCC2C)c(C#N)c1.
What is the InChIKey of 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-5-methylbenzonitrile?
The InChIKey is IOJQVTAVUWQSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10-3-4-14(12(5-10)6-15)16-7-13(8-17)18-9-11(16)2/h3-5,11,13,17H,7-9H2,1-2H3.
What are the key properties of 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-5-methylbenzonitrile?
2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-5-methylbenzonitrile has a molecular weight of 246.31 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-5-methylbenzonitrile is sourced from PubChem (CID 107927682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).