2-methyl-N'-[2-(2-methylphenyl)ethyl]morpholine-4-carboximidamide

C15H23N3O — CID 166222802

IUPAC2-methyl-N'-[2-(2-methylphenyl)ethyl]morpholine-4-carboximidamide
SMILESCc1ccccc1CC/N=C(\N)N1CCOC(C)C1
InChIInChI=1S/C15H23N3O/c1-12-5-3-4-6-14(12)7-8-17-15(16)18-9-10-19-13(2)11-18/h3-6,13H,7-11H2,1-2H3,(H2,16,17)
InChIKeyKTEBNKBKCYCUAU-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.57
Rot. Bonds3

About 2-methyl-N'-[2-(2-methylphenyl)ethyl]morpholine-4-carboximidamide

2-methyl-N'-[2-(2-methylphenyl)ethyl]morpholine-4-carboximidamide (PubChem CID 166222802) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-methyl-N'-[2-(2-methylphenyl)ethyl]morpholine-4-carboximidamide.

Molecular Properties

Compound Name2-methyl-N'-[2-(2-methylphenyl)ethyl]morpholine-4-carboximidamide
PubChem CID166222802
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-methyl-N'-[2-(2-methylphenyl)ethyl]morpholine-4-carboximidamide
SMILESCc1ccccc1CC/N=C(\N)N1CCOC(C)C1
InChIInChI=1S/C15H23N3O/c1-12-5-3-4-6-14(12)7-8-17-15(16)18-9-10-19-13(2)11-18/h3-6,13H,7-11H2,1-2H3,(H2,16,17)
InChIKeyKTEBNKBKCYCUAU-UHFFFAOYSA-N
XLogP1.57
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N'-(3-cyclopropyl-3-methylbutyl)-2-methylmorpholine-4-carboximidamide
CID 122096622
N'-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-2-methylmorpholine-4-carboximidamide
CID 120662286
2-methyl-N'-[2-(4-methylpyrazol-1-yl)ethyl]morpholine-4-carboximidamide
CID 120661644
2-methyl-N'-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 120661795
N'-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-methylmorpholine-4-carboximidamide
CID 120661472
N'-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methylmorpholine-4-carboximidamide
CID 120661628
N'-(cyclobutylmethyl)-2-methylmorpholine-4-carboximidamide
CID 120661244
N'-[2-(tert-butylamino)ethyl]-2-methylmorpholine-4-carboximidamide
CID 120661618
N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-3-(2-methylphenyl)propanamide
CID 110671816
2-methyl-N'-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]morpholine-4-carboximidamide;hydroiodide
CID 120661235
2-methyl-N'-[2-(4-methylpiperidin-1-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 120661211
N'-[2-(1-hydroxycyclobutyl)ethyl]-2-methylmorpholine-4-carboximidamide
CID 120913754

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[2-(2-methylphenyl)ethyl]morpholine-4-carboximidamide?
The IUPAC name of 2-methyl-N'-[2-(2-methylphenyl)ethyl]morpholine-4-carboximidamide (CID 166222802) is 2-methyl-N'-[2-(2-methylphenyl)ethyl]morpholine-4-carboximidamide.
What is the SMILES notation for 2-methyl-N'-[2-(2-methylphenyl)ethyl]morpholine-4-carboximidamide?
The canonical SMILES for 2-methyl-N'-[2-(2-methylphenyl)ethyl]morpholine-4-carboximidamide is Cc1ccccc1CC/N=C(\N)N1CCOC(C)C1.
What is the InChIKey of 2-methyl-N'-[2-(2-methylphenyl)ethyl]morpholine-4-carboximidamide?
The InChIKey is KTEBNKBKCYCUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12-5-3-4-6-14(12)7-8-17-15(16)18-9-10-19-13(2)11-18/h3-6,13H,7-11H2,1-2H3,(H2,16,17).
What are the key properties of 2-methyl-N'-[2-(2-methylphenyl)ethyl]morpholine-4-carboximidamide?
2-methyl-N'-[2-(2-methylphenyl)ethyl]morpholine-4-carboximidamide has a molecular weight of 261.37 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[2-(2-methylphenyl)ethyl]morpholine-4-carboximidamide is sourced from PubChem (CID 166222802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).