2-(2,5-dimethylmorpholin-4-yl)benzonitrile

C13H16N2O — CID 43429898

IUPAC2-(2,5-dimethylmorpholin-4-yl)benzonitrile
SMILESCC1CN(c2ccccc2C#N)C(C)CO1
InChIInChI=1S/C13H16N2O/c1-10-9-16-11(2)8-15(10)13-6-4-3-5-12(13)7-14/h3-6,10-11H,8-9H2,1-2H3
InChIKeyOFAVQUKCMVWWRS-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.17
Rot. Bonds1

About 2-(2,5-dimethylmorpholin-4-yl)benzonitrile

2-(2,5-dimethylmorpholin-4-yl)benzonitrile (PubChem CID 43429898) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-(2,5-dimethylmorpholin-4-yl)benzonitrile.

Molecular Properties

Compound Name2-(2,5-dimethylmorpholin-4-yl)benzonitrile
PubChem CID43429898
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-(2,5-dimethylmorpholin-4-yl)benzonitrile
SMILESCC1CN(c2ccccc2C#N)C(C)CO1
InChIInChI=1S/C13H16N2O/c1-10-9-16-11(2)8-15(10)13-6-4-3-5-12(13)7-14/h3-6,10-11H,8-9H2,1-2H3
InChIKeyOFAVQUKCMVWWRS-UHFFFAOYSA-N
XLogP2.17
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Morpholinobenzonitrile
CID 394808
2-Piperidin-1-yl-benzonitrile
CID 2774355
2-Oxiranemethanamine, N-(2-methylphenyl)-N-(2-oxiranylmethyl)-
CID 99930
(4-Morpholin-4-ylbenzylidene)malononitrile
CID 321779
(2-(Morpholin-4-yl)phenyl)methanamine
CID 2776563
4-(p-Tolyl)morpholine
CID 766255
4-Morpholinobenzylamine
CID 2776458
2-Fluoro-6-morpholinobenzonitrile
CID 654627
3-[4-(4-Morpholinyl)phenyl]-2-phenylacrylonitrile
CID 892247
1-Piperazineethanol, 4-o-tolyl-
CID 96700
3-(Morpholin-4-yl)benzonitrile
CID 7060556
N,N-dimethyl-4-(2-morpholin-4-ylethyl)aniline
CID 3830898

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylmorpholin-4-yl)benzonitrile?
The IUPAC name of 2-(2,5-dimethylmorpholin-4-yl)benzonitrile (CID 43429898) is 2-(2,5-dimethylmorpholin-4-yl)benzonitrile.
What is the SMILES notation for 2-(2,5-dimethylmorpholin-4-yl)benzonitrile?
The canonical SMILES for 2-(2,5-dimethylmorpholin-4-yl)benzonitrile is CC1CN(c2ccccc2C#N)C(C)CO1.
What is the InChIKey of 2-(2,5-dimethylmorpholin-4-yl)benzonitrile?
The InChIKey is OFAVQUKCMVWWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-10-9-16-11(2)8-15(10)13-6-4-3-5-12(13)7-14/h3-6,10-11H,8-9H2,1-2H3.
What are the key properties of 2-(2,5-dimethylmorpholin-4-yl)benzonitrile?
2-(2,5-dimethylmorpholin-4-yl)benzonitrile has a molecular weight of 216.28 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylmorpholin-4-yl)benzonitrile is sourced from PubChem (CID 43429898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).