N'-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]morpholine-4-carboximidamide

C17H25ClN4O2 — CID 111054719

IUPACN'-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]morpholine-4-carboximidamide
SMILESN/C(=N\CC(c1ccccc1Cl)N1CCOCC1)N1CCOCC1
InChIInChI=1S/C17H25ClN4O2/c18-15-4-2-1-3-14(15)16(21-5-9-23-10-6-21)13-20-17(19)22-7-11-24-12-8-22/h1-4,16H,5-13H2,(H2,19,20)
InChIKeyZQKQPBCBZOCBME-UHFFFAOYSA-N
MW352.87 g/mol
LogP1.36
Rot. Bonds4

About N'-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]morpholine-4-carboximidamide

N'-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]morpholine-4-carboximidamide (PubChem CID 111054719) has the molecular formula C17H25ClN4O2 and a molecular weight of 352.87 g/mol. Its IUPAC name is N'-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]morpholine-4-carboximidamide
PubChem CID111054719
Molecular FormulaC17H25ClN4O2
Molecular Weight352.87 g/mol
Exact Mass352.17
IUPAC NameN'-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]morpholine-4-carboximidamide
SMILESN/C(=N\CC(c1ccccc1Cl)N1CCOCC1)N1CCOCC1
InChIInChI=1S/C17H25ClN4O2/c18-15-4-2-1-3-14(15)16(21-5-9-23-10-6-21)13-20-17(19)22-7-11-24-12-8-22/h1-4,16H,5-13H2,(H2,19,20)
InChIKeyZQKQPBCBZOCBME-UHFFFAOYSA-N
XLogP1.36
TPSA63.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]guanidine
CID 110914972
2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine;hydroiodide
CID 110925272
1-tert-butyl-2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111054726
N'-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]piperidine-1-carboximidamide
CID 111087099
2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(1-methoxypropan-2-yl)guanidine
CID 111054785
2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(3-methylphenyl)guanidine
CID 111054709
2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111054784
N'-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]piperidine-1-carboximidamide;hydroiodide
CID 111098692
2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(3-ethylphenyl)guanidine
CID 111054747
2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(3,4-dimethylphenyl)guanidine;hydroiodide
CID 111054728
N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperidine-1-carboximidamide
CID 111027067
2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]guanidine
CID 111054735

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]morpholine-4-carboximidamide?
The IUPAC name of N'-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]morpholine-4-carboximidamide (CID 111054719) is N'-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]morpholine-4-carboximidamide is N/C(=N\CC(c1ccccc1Cl)N1CCOCC1)N1CCOCC1.
What is the InChIKey of N'-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]morpholine-4-carboximidamide?
The InChIKey is ZQKQPBCBZOCBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN4O2/c18-15-4-2-1-3-14(15)16(21-5-9-23-10-6-21)13-20-17(19)22-7-11-24-12-8-22/h1-4,16H,5-13H2,(H2,19,20).
What are the key properties of N'-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]morpholine-4-carboximidamide?
N'-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]morpholine-4-carboximidamide has a molecular weight of 352.87 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]morpholine-4-carboximidamide is sourced from PubChem (CID 111054719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).