5-fluoro-2-[1-(4-methylmorpholin-2-yl)ethylamino]benzonitrile

C14H18FN3O — CID 133386483

IUPAC5-fluoro-2-[1-(4-methylmorpholin-2-yl)ethylamino]benzonitrile
SMILESCC(Nc1ccc(F)cc1C#N)C1CN(C)CCO1
InChIInChI=1S/C14H18FN3O/c1-10(14-9-18(2)5-6-19-14)17-13-4-3-12(15)7-11(13)8-16/h3-4,7,10,14,17H,5-6,9H2,1-2H3
InChIKeyYGYAVQWUSVWYIF-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.83
Rot. Bonds3

About 5-fluoro-2-[1-(4-methylmorpholin-2-yl)ethylamino]benzonitrile

5-fluoro-2-[1-(4-methylmorpholin-2-yl)ethylamino]benzonitrile (PubChem CID 133386483) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 5-fluoro-2-[1-(4-methylmorpholin-2-yl)ethylamino]benzonitrile.

Molecular Properties

Compound Name5-fluoro-2-[1-(4-methylmorpholin-2-yl)ethylamino]benzonitrile
PubChem CID133386483
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name5-fluoro-2-[1-(4-methylmorpholin-2-yl)ethylamino]benzonitrile
SMILESCC(Nc1ccc(F)cc1C#N)C1CN(C)CCO1
InChIInChI=1S/C14H18FN3O/c1-10(14-9-18(2)5-6-19-14)17-13-4-3-12(15)7-11(13)8-16/h3-4,7,10,14,17H,5-6,9H2,1-2H3
InChIKeyYGYAVQWUSVWYIF-UHFFFAOYSA-N
XLogP1.83
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-methylmorpholin-2-yl)ethylamino]pyridine-3-carbonitrile
CID 133386451
N-[1-(4-methylmorpholin-2-yl)ethyl]-2-nitroaniline
CID 133386498
[2-(2-chloro-5-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethyl]hydrazine
CID 102623373
(4-fluorophenyl)-(4-methylmorpholin-2-yl)methanamine
CID 79093624
5-fluoro-2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]benzonitrile
CID 82016089
5-fluoro-2-[[(1R)-1-phenylethyl]amino]benzonitrile
CID 133320611
1-(2-cyano-4-fluorophenyl)-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea
CID 78838978
5-fluoro-2-[(2-methyloxolan-3-yl)amino]benzonitrile
CID 82717620
4-(difluoromethylsulfonyl)-N-[1-(4-methylmorpholin-2-yl)ethyl]aniline
CID 133386364
5-fluoro-2-[(1-methylazepan-4-yl)amino]benzonitrile
CID 82015465
2-chloro-4-fluoro-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 43308733
2-[1-(1-methylpiperidin-3-yl)ethylamino]benzonitrile
CID 43307860

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-(4-methylmorpholin-2-yl)ethylamino]benzonitrile?
The IUPAC name of 5-fluoro-2-[1-(4-methylmorpholin-2-yl)ethylamino]benzonitrile (CID 133386483) is 5-fluoro-2-[1-(4-methylmorpholin-2-yl)ethylamino]benzonitrile.
What is the SMILES notation for 5-fluoro-2-[1-(4-methylmorpholin-2-yl)ethylamino]benzonitrile?
The canonical SMILES for 5-fluoro-2-[1-(4-methylmorpholin-2-yl)ethylamino]benzonitrile is CC(Nc1ccc(F)cc1C#N)C1CN(C)CCO1.
What is the InChIKey of 5-fluoro-2-[1-(4-methylmorpholin-2-yl)ethylamino]benzonitrile?
The InChIKey is YGYAVQWUSVWYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-10(14-9-18(2)5-6-19-14)17-13-4-3-12(15)7-11(13)8-16/h3-4,7,10,14,17H,5-6,9H2,1-2H3.
What are the key properties of 5-fluoro-2-[1-(4-methylmorpholin-2-yl)ethylamino]benzonitrile?
5-fluoro-2-[1-(4-methylmorpholin-2-yl)ethylamino]benzonitrile has a molecular weight of 263.32 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[1-(4-methylmorpholin-2-yl)ethylamino]benzonitrile is sourced from PubChem (CID 133386483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).