2-fluoro-4-[(4-methylmorpholin-2-yl)methylamino]benzonitrile

C13H16FN3O — CID 115367637

IUPAC2-fluoro-4-[(4-methylmorpholin-2-yl)methylamino]benzonitrile
SMILESCN1CCOC(CNc2ccc(C#N)c(F)c2)C1
InChIInChI=1S/C13H16FN3O/c1-17-4-5-18-12(9-17)8-16-11-3-2-10(7-15)13(14)6-11/h2-3,6,12,16H,4-5,8-9H2,1H3
InChIKeySGVUKMGTDSOYAU-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.44
Rot. Bonds3

About 2-fluoro-4-[(4-methylmorpholin-2-yl)methylamino]benzonitrile

2-fluoro-4-[(4-methylmorpholin-2-yl)methylamino]benzonitrile (PubChem CID 115367637) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 2-fluoro-4-[(4-methylmorpholin-2-yl)methylamino]benzonitrile.

Molecular Properties

Compound Name2-fluoro-4-[(4-methylmorpholin-2-yl)methylamino]benzonitrile
PubChem CID115367637
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name2-fluoro-4-[(4-methylmorpholin-2-yl)methylamino]benzonitrile
SMILESCN1CCOC(CNc2ccc(C#N)c(F)c2)C1
InChIInChI=1S/C13H16FN3O/c1-17-4-5-18-12(9-17)8-16-11-3-2-10(7-15)13(14)6-11/h2-3,6,12,16H,4-5,8-9H2,1H3
InChIKeySGVUKMGTDSOYAU-UHFFFAOYSA-N
XLogP1.44
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-4-[(4-methylmorpholin-2-yl)methylamino]benzonitrile 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

3-fluoro-4-methoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79172561
3-chloro-4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 83107478
2-fluoro-4-[(1-methylpiperidin-3-yl)methylamino]benzonitrile
CID 113295642
4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)aniline
CID 79171600
3,5-difluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79171790
2-[(4-methylmorpholin-2-yl)methylamino]benzonitrile
CID 78916182
3-ethynyl-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79172463
2-bromo-4,6-difluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79172288
2-fluoro-4-[(3-hydroxycyclopentyl)methylamino]benzonitrile
CID 106136057
2-amino-5-[(4-methylmorpholin-2-yl)methylamino]benzamide
CID 79071800
3-(methoxymethyl)-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79171120
2-methyl-4-[(1-methylpiperidin-3-yl)methylamino]benzonitrile
CID 81273459

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(4-methylmorpholin-2-yl)methylamino]benzonitrile?
The IUPAC name of 2-fluoro-4-[(4-methylmorpholin-2-yl)methylamino]benzonitrile (CID 115367637) is 2-fluoro-4-[(4-methylmorpholin-2-yl)methylamino]benzonitrile.
What is the SMILES notation for 2-fluoro-4-[(4-methylmorpholin-2-yl)methylamino]benzonitrile?
The canonical SMILES for 2-fluoro-4-[(4-methylmorpholin-2-yl)methylamino]benzonitrile is CN1CCOC(CNc2ccc(C#N)c(F)c2)C1.
What is the InChIKey of 2-fluoro-4-[(4-methylmorpholin-2-yl)methylamino]benzonitrile?
The InChIKey is SGVUKMGTDSOYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-17-4-5-18-12(9-17)8-16-11-3-2-10(7-15)13(14)6-11/h2-3,6,12,16H,4-5,8-9H2,1H3.
What are the key properties of 2-fluoro-4-[(4-methylmorpholin-2-yl)methylamino]benzonitrile?
2-fluoro-4-[(4-methylmorpholin-2-yl)methylamino]benzonitrile has a molecular weight of 249.29 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(4-methylmorpholin-2-yl)methylamino]benzonitrile is sourced from PubChem (CID 115367637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).