N-[amino(phenyl)methylidene]-N'-(4-chlorophenyl)morpholine-4-carboximidamide

C18H19ClN4O — CID 70567672

IUPACN-[amino(phenyl)methylidene]-N'-(4-chlorophenyl)morpholine-4-carboximidamide
SMILESNC(=N/C(=N\c1ccc(Cl)cc1)N1CCOCC1)c1ccccc1
InChIInChI=1S/C18H19ClN4O/c19-15-6-8-16(9-7-15)21-18(23-10-12-24-13-11-23)22-17(20)14-4-2-1-3-5-14/h1-9H,10-13H2,(H2,20,21,22)
InChIKeyPLMMZRYSXSGARE-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.07
Rot. Bonds2

About N-[amino(phenyl)methylidene]-N'-(4-chlorophenyl)morpholine-4-carboximidamide

N-[amino(phenyl)methylidene]-N'-(4-chlorophenyl)morpholine-4-carboximidamide (PubChem CID 70567672) has the molecular formula C18H19ClN4O and a molecular weight of 342.83 g/mol. Its IUPAC name is N-[amino(phenyl)methylidene]-N'-(4-chlorophenyl)morpholine-4-carboximidamide.

Molecular Properties

Compound NameN-[amino(phenyl)methylidene]-N'-(4-chlorophenyl)morpholine-4-carboximidamide
PubChem CID70567672
Molecular FormulaC18H19ClN4O
Molecular Weight342.83 g/mol
Exact Mass342.12
IUPAC NameN-[amino(phenyl)methylidene]-N'-(4-chlorophenyl)morpholine-4-carboximidamide
SMILESNC(=N/C(=N\c1ccc(Cl)cc1)N1CCOCC1)c1ccccc1
InChIInChI=1S/C18H19ClN4O/c19-15-6-8-16(9-7-15)21-18(23-10-12-24-13-11-23)22-17(20)14-4-2-1-3-5-14/h1-9H,10-13H2,(H2,20,21,22)
InChIKeyPLMMZRYSXSGARE-UHFFFAOYSA-N
XLogP3.07
TPSA63.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.07
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

(NE)-N-[amino(phenyl)methylidene]-4-methyl-N'-phenylpiperazine-1-carboximidamide
CID 23459648
N-[amino(pyridin-2-yl)methylidene]-N'-phenylmorpholine-4-carboximidamide;hydrochloride
CID 70531275
(NE)-N-[amino(phenyl)methylidene]-4-methyl-N'-phenylpiperazine-1-carboximidamide;hydrochloride
CID 23459647
(NZ)-N-[amino(phenyl)methylidene]-N'-phenylthiomorpholine-4-carboximidamide;hydrochloride
CID 23459671
N-[amino(naphthalen-1-yl)methylidene]-N'-phenylmorpholine-4-carboximidamide
CID 70532858
(NZ)-N-[amino-(2-methoxyphenyl)methylidene]-N'-phenylmorpholine-4-carboximidamide
CID 23459640
N-[1-(dimethylamino)propylidene]-N'-phenylmorpholine-4-carboximidamide
CID 54126746
N-[1-(dimethylamino)-2-phenylethylidene]-N'-phenylmorpholine-4-carboximidamide
CID 54319746
N-phenylmorpholine-4-carboximidoyl chloride
CID 9361718
CID 146162313
CID 146162313
4-chloro-N'-(4-chlorophenyl)benzenecarboximidamide
CID 11737167
2-[4-(morpholin-4-ylmethyl)phenyl]guanidine
CID 68861466

Frequently Asked Questions

What is the IUPAC name of N-[amino(phenyl)methylidene]-N'-(4-chlorophenyl)morpholine-4-carboximidamide?
The IUPAC name of N-[amino(phenyl)methylidene]-N'-(4-chlorophenyl)morpholine-4-carboximidamide (CID 70567672) is N-[amino(phenyl)methylidene]-N'-(4-chlorophenyl)morpholine-4-carboximidamide.
What is the SMILES notation for N-[amino(phenyl)methylidene]-N'-(4-chlorophenyl)morpholine-4-carboximidamide?
The canonical SMILES for N-[amino(phenyl)methylidene]-N'-(4-chlorophenyl)morpholine-4-carboximidamide is NC(=N/C(=N\c1ccc(Cl)cc1)N1CCOCC1)c1ccccc1.
What is the InChIKey of N-[amino(phenyl)methylidene]-N'-(4-chlorophenyl)morpholine-4-carboximidamide?
The InChIKey is PLMMZRYSXSGARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O/c19-15-6-8-16(9-7-15)21-18(23-10-12-24-13-11-23)22-17(20)14-4-2-1-3-5-14/h1-9H,10-13H2,(H2,20,21,22).
What are the key properties of N-[amino(phenyl)methylidene]-N'-(4-chlorophenyl)morpholine-4-carboximidamide?
N-[amino(phenyl)methylidene]-N'-(4-chlorophenyl)morpholine-4-carboximidamide has a molecular weight of 342.83 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino(phenyl)methylidene]-N'-(4-chlorophenyl)morpholine-4-carboximidamide is sourced from PubChem (CID 70567672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).