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

C13H17N3O — CID 78916182

IUPAC2-[(4-methylmorpholin-2-yl)methylamino]benzonitrile
SMILESCN1CCOC(CNc2ccccc2C#N)C1
InChIInChI=1S/C13H17N3O/c1-16-6-7-17-12(10-16)9-15-13-5-3-2-4-11(13)8-14/h2-5,12,15H,6-7,9-10H2,1H3
InChIKeyNHUGHDBBBOGWHZ-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.30
Rot. Bonds3

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

2-[(4-methylmorpholin-2-yl)methylamino]benzonitrile (PubChem CID 78916182) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[(4-methylmorpholin-2-yl)methylamino]benzonitrile.

Molecular Properties

Compound Name2-[(4-methylmorpholin-2-yl)methylamino]benzonitrile
PubChem CID78916182
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-[(4-methylmorpholin-2-yl)methylamino]benzonitrile
SMILESCN1CCOC(CNc2ccccc2C#N)C1
InChIInChI=1S/C13H17N3O/c1-16-6-7-17-12(10-16)9-15-13-5-3-2-4-11(13)8-14/h2-5,12,15H,6-7,9-10H2,1H3
InChIKeyNHUGHDBBBOGWHZ-UHFFFAOYSA-N
XLogP1.30
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79172087
2-fluoro-4-[(4-methylmorpholin-2-yl)methylamino]benzonitrile
CID 115367637
CID 139465682
CID 139465682
2-(difluoromethoxy)-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79172188
2-amino-3-[(4-ethylmorpholin-2-yl)methylamino]benzonitrile
CID 114399276
2-chloro-6-[(4-methylmorpholin-2-yl)methylamino]benzoic acid
CID 79072368
N-[(4-methylmorpholin-2-yl)methyl]-1,2,4-benzotriazin-3-amine
CID 103204381
2-chloro-6-[(4-methylmorpholin-2-yl)methylamino]benzenecarbothioamide
CID 79071213
2-chloro-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-4-nitroaniline
CID 94825699
2-bromo-N-[(4-methylmorpholin-2-yl)methyl]-4-nitroaniline
CID 79034182
3-[(4-methylmorpholin-2-yl)methylamino]-1-phenylcyclobutane-1-carbonitrile
CID 79079472
4-acetyl-2-[(4-benzylmorpholin-2-yl)methylamino]benzonitrile
CID 133465937

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylmorpholin-2-yl)methylamino]benzonitrile?
The IUPAC name of 2-[(4-methylmorpholin-2-yl)methylamino]benzonitrile (CID 78916182) is 2-[(4-methylmorpholin-2-yl)methylamino]benzonitrile.
What is the SMILES notation for 2-[(4-methylmorpholin-2-yl)methylamino]benzonitrile?
The canonical SMILES for 2-[(4-methylmorpholin-2-yl)methylamino]benzonitrile is CN1CCOC(CNc2ccccc2C#N)C1.
What is the InChIKey of 2-[(4-methylmorpholin-2-yl)methylamino]benzonitrile?
The InChIKey is NHUGHDBBBOGWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-16-6-7-17-12(10-16)9-15-13-5-3-2-4-11(13)8-14/h2-5,12,15H,6-7,9-10H2,1H3.
What are the key properties of 2-[(4-methylmorpholin-2-yl)methylamino]benzonitrile?
2-[(4-methylmorpholin-2-yl)methylamino]benzonitrile has a molecular weight of 231.30 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylmorpholin-2-yl)methylamino]benzonitrile is sourced from PubChem (CID 78916182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).