2-methyl-4-(2-methylmorpholin-4-yl)benzenecarboximidamide

C13H19N3O — CID 81279659

IUPAC2-methyl-4-(2-methylmorpholin-4-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCOC(C)C2)cc1C
InChIInChI=1S/C13H19N3O/c1-9-7-11(3-4-12(9)13(14)15)16-5-6-17-10(2)8-16/h3-4,7,10H,5-6,8H2,1-2H3,(H3,14,15)
InChIKeyUGLBQIUSLOSMHG-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.50
Rot. Bonds2

About 2-methyl-4-(2-methylmorpholin-4-yl)benzenecarboximidamide

2-methyl-4-(2-methylmorpholin-4-yl)benzenecarboximidamide (PubChem CID 81279659) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-methyl-4-(2-methylmorpholin-4-yl)benzenecarboximidamide.

Molecular Properties

Compound Name2-methyl-4-(2-methylmorpholin-4-yl)benzenecarboximidamide
PubChem CID81279659
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-methyl-4-(2-methylmorpholin-4-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCOC(C)C2)cc1C
InChIInChI=1S/C13H19N3O/c1-9-7-11(3-4-12(9)13(14)15)16-5-6-17-10(2)8-16/h3-4,7,10H,5-6,8H2,1-2H3,(H3,14,15)
InChIKeyUGLBQIUSLOSMHG-UHFFFAOYSA-N
XLogP1.50
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-methyl-2-(2-methylmorpholin-4-yl)benzenecarboximidamide
CID 107930291
4-(azocan-1-yl)-2-methylbenzenecarboximidamide
CID 81279161
2-methyl-4-thiomorpholin-4-ylbenzenecarboximidamide
CID 81278736
4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-methylbenzenecarboximidamide
CID 81268554
4-(4-ethylpiperidin-1-yl)-2-methylbenzenecarboximidamide
CID 81279437
2-methyl-4-(4-propan-2-ylpiperazin-1-yl)benzenecarboximidamide
CID 81279590
1-[2-amino-4-(2-methylmorpholin-4-yl)phenyl]ethanone
CID 104528165
2-chloro-4-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide
CID 55153583
2-bromo-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]benzenecarboximidamide
CID 107279407
4-[2-(hydroxymethyl)morpholin-4-yl]-2-(trifluoromethyl)benzenecarboximidamide
CID 81195077
4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-methylbenzenecarboximidamide
CID 114777104
2-chloro-4-(2-methylmorpholin-4-yl)benzoic acid
CID 62946063

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-methylmorpholin-4-yl)benzenecarboximidamide?
The IUPAC name of 2-methyl-4-(2-methylmorpholin-4-yl)benzenecarboximidamide (CID 81279659) is 2-methyl-4-(2-methylmorpholin-4-yl)benzenecarboximidamide.
What is the SMILES notation for 2-methyl-4-(2-methylmorpholin-4-yl)benzenecarboximidamide?
The canonical SMILES for 2-methyl-4-(2-methylmorpholin-4-yl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(N2CCOC(C)C2)cc1C.
What is the InChIKey of 2-methyl-4-(2-methylmorpholin-4-yl)benzenecarboximidamide?
The InChIKey is UGLBQIUSLOSMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-7-11(3-4-12(9)13(14)15)16-5-6-17-10(2)8-16/h3-4,7,10H,5-6,8H2,1-2H3,(H3,14,15).
What are the key properties of 2-methyl-4-(2-methylmorpholin-4-yl)benzenecarboximidamide?
2-methyl-4-(2-methylmorpholin-4-yl)benzenecarboximidamide has a molecular weight of 233.31 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-methylmorpholin-4-yl)benzenecarboximidamide is sourced from PubChem (CID 81279659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).