N'-[2-(2,4-dichlorophenoxy)phenyl]morpholine-4-carboximidamide

C17H17Cl2N3O2 — CID 134101411

IUPACN'-[2-(2,4-dichlorophenoxy)phenyl]morpholine-4-carboximidamide
SMILESN/C(=N\c1ccccc1Oc1ccc(Cl)cc1Cl)N1CCOCC1
InChIInChI=1S/C17H17Cl2N3O2/c18-12-5-6-15(13(19)11-12)24-16-4-2-1-3-14(16)21-17(20)22-7-9-23-10-8-22/h1-6,11H,7-10H2,(H2,20,21)
InChIKeyZJPHIMBWASWAAD-UHFFFAOYSA-N
MW366.25 g/mol
LogP4.06
Rot. Bonds3

About N'-[2-(2,4-dichlorophenoxy)phenyl]morpholine-4-carboximidamide

N'-[2-(2,4-dichlorophenoxy)phenyl]morpholine-4-carboximidamide (PubChem CID 134101411) has the molecular formula C17H17Cl2N3O2 and a molecular weight of 366.25 g/mol. Its IUPAC name is N'-[2-(2,4-dichlorophenoxy)phenyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[2-(2,4-dichlorophenoxy)phenyl]morpholine-4-carboximidamide
PubChem CID134101411
Molecular FormulaC17H17Cl2N3O2
Molecular Weight366.25 g/mol
Exact Mass365.07
IUPAC NameN'-[2-(2,4-dichlorophenoxy)phenyl]morpholine-4-carboximidamide
SMILESN/C(=N\c1ccccc1Oc1ccc(Cl)cc1Cl)N1CCOCC1
InChIInChI=1S/C17H17Cl2N3O2/c18-12-5-6-15(13(19)11-12)24-16-4-2-1-3-14(16)21-17(20)22-7-9-23-10-8-22/h1-6,11H,7-10H2,(H2,20,21)
InChIKeyZJPHIMBWASWAAD-UHFFFAOYSA-N
XLogP4.06
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 54.06
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

(2,4-dichlorophenyl) morpholine-4-carboxylate
CID 134989455
N'-(2-piperidin-1-ylphenyl)morpholine-4-carboximidamide
CID 15746476
3-(2,4-dichlorophenoxy)-4-(methanesulfonamido)benzenesulfonic acid;morpholine-4-carboxamide
CID 131721513
N'-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]morpholine-4-carboximidamide;hydroiodide
CID 86779305
N'-[2-(2-methylphenoxy)ethyl]morpholine-4-carboximidamide
CID 111076297
N'-[[2-(2-methylphenoxy)phenyl]methyl]morpholine-4-carboximidamide
CID 111805322
N'-(3-chlorophenyl)pyrrolidine-1-carboximidamide
CID 89339520
2-(2,4-dichlorophenoxy)benzenesulfonamide
CID 2805105
2-amino-3-(2,4-dichlorophenoxy)benzoic acid
CID 113333260
2-(2,4-dichlorophenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 3007422
2-(2-chlorophenoxy)-1-morpholin-4-ylethanone
CID 905479
[2-(2,4-dichlorophenoxy)phenyl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119562310

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,4-dichlorophenoxy)phenyl]morpholine-4-carboximidamide?
The IUPAC name of N'-[2-(2,4-dichlorophenoxy)phenyl]morpholine-4-carboximidamide (CID 134101411) is N'-[2-(2,4-dichlorophenoxy)phenyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[2-(2,4-dichlorophenoxy)phenyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[2-(2,4-dichlorophenoxy)phenyl]morpholine-4-carboximidamide is N/C(=N\c1ccccc1Oc1ccc(Cl)cc1Cl)N1CCOCC1.
What is the InChIKey of N'-[2-(2,4-dichlorophenoxy)phenyl]morpholine-4-carboximidamide?
The InChIKey is ZJPHIMBWASWAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O2/c18-12-5-6-15(13(19)11-12)24-16-4-2-1-3-14(16)21-17(20)22-7-9-23-10-8-22/h1-6,11H,7-10H2,(H2,20,21).
What are the key properties of N'-[2-(2,4-dichlorophenoxy)phenyl]morpholine-4-carboximidamide?
N'-[2-(2,4-dichlorophenoxy)phenyl]morpholine-4-carboximidamide has a molecular weight of 366.25 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,4-dichlorophenoxy)phenyl]morpholine-4-carboximidamide is sourced from PubChem (CID 134101411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).