N-[2-(3-methoxyphenyl)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide

C22H29N3O2 — CID 109481843

IUPACN-[2-(3-methoxyphenyl)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
SMILESC/N=C(\NCCc1cccc(OC)c1)N1CCOC(c2ccccc2C)C1
InChIInChI=1S/C22H29N3O2/c1-17-7-4-5-10-20(17)21-16-25(13-14-27-21)22(23-2)24-12-11-18-8-6-9-19(15-18)26-3/h4-10,15,21H,11-14,16H2,1-3H3,(H,23,24)
InChIKeyRWRZJXGLMLZWBZ-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.20
Rot. Bonds5

About N-[2-(3-methoxyphenyl)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide

N-[2-(3-methoxyphenyl)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide (PubChem CID 109481843) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
PubChem CID109481843
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
SMILESC/N=C(\NCCc1cccc(OC)c1)N1CCOC(c2ccccc2C)C1
InChIInChI=1S/C22H29N3O2/c1-17-7-4-5-10-20(17)21-16-25(13-14-27-21)22(23-2)24-12-11-18-8-6-9-19(15-18)26-3/h4-10,15,21H,11-14,16H2,1-3H3,(H,23,24)
InChIKeyRWRZJXGLMLZWBZ-UHFFFAOYSA-N
XLogP3.20
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.20
H-Bond Donors ≤ 51
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

3-methoxy-N-[2-[[N-methyl-C-[2-(2-methylphenyl)morpholin-4-yl]carbonimidoyl]amino]ethyl]benzamide;hydroiodide
CID 109480994
3-(3-methoxyphenyl)-1-[2-(2-methylphenyl)morpholin-4-yl]propan-1-one
CID 110364528
N-[(2-hydroxy-5-methoxyphenyl)methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109481357
N-[[3-(methoxymethyl)phenyl]methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480848
N-[(3,4-dimethoxyphenyl)methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480916
N'-methyl-2-(2-methylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]morpholine-4-carboximidamide
CID 109480303
2-[3-[[[N-methyl-C-[2-(2-methylphenyl)morpholin-4-yl]carbonimidoyl]amino]methyl]phenoxy]acetamide;hydroiodide
CID 109480134
N'-methyl-N-(3-methylbutyl)-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479895
N-(3-fluoropropyl)-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109481667
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480193
N-[2-(1-benzylimidazol-2-yl)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109481307
N-[2-(2-butoxyethoxy)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480418

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide (CID 109481843) is N-[2-(3-methoxyphenyl)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide is C/N=C(\NCCc1cccc(OC)c1)N1CCOC(c2ccccc2C)C1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide?
The InChIKey is RWRZJXGLMLZWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-17-7-4-5-10-20(17)21-16-25(13-14-27-21)22(23-2)24-12-11-18-8-6-9-19(15-18)26-3/h4-10,15,21H,11-14,16H2,1-3H3,(H,23,24).
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide?
N-[2-(3-methoxyphenyl)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide has a molecular weight of 367.49 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide is sourced from PubChem (CID 109481843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).