N'-[3-(4-chlorophenyl)propyl]morpholine-4-carboximidamide

C14H20ClN3O — CID 100674114

IUPACN'-[3-(4-chlorophenyl)propyl]morpholine-4-carboximidamide
SMILESN/C(=N\CCCc1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C14H20ClN3O/c15-13-5-3-12(4-6-13)2-1-7-17-14(16)18-8-10-19-11-9-18/h3-6H,1-2,7-11H2,(H2,16,17)
InChIKeyZIUHLUOCPVVCCR-UHFFFAOYSA-N
MW281.79 g/mol
LogP1.92
Rot. Bonds4

About N'-[3-(4-chlorophenyl)propyl]morpholine-4-carboximidamide

N'-[3-(4-chlorophenyl)propyl]morpholine-4-carboximidamide (PubChem CID 100674114) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is N'-[3-(4-chlorophenyl)propyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[3-(4-chlorophenyl)propyl]morpholine-4-carboximidamide
PubChem CID100674114
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC NameN'-[3-(4-chlorophenyl)propyl]morpholine-4-carboximidamide
SMILESN/C(=N\CCCc1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C14H20ClN3O/c15-13-5-3-12(4-6-13)2-1-7-17-14(16)18-8-10-19-11-9-18/h3-6H,1-2,7-11H2,(H2,16,17)
InChIKeyZIUHLUOCPVVCCR-UHFFFAOYSA-N
XLogP1.92
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[4-(4-nitrophenyl)butyl]morpholine-4-carboximidamide
CID 86778468
N'-[2-(4-chlorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111024810
N'-[3-(2-phenylethoxy)propyl]morpholine-4-carboximidamide;hydroiodide
CID 56801703
N'-[2-[4-(trifluoromethoxy)phenyl]ethyl]morpholine-4-carboximidamide
CID 75493971
N'-[3-[4-(dimethylamino)phenyl]propyl]piperidine-1-carboximidamide
CID 111067892
N'-[3-[4-(dimethylamino)phenyl]propyl]piperidine-1-carboximidamide;hydroiodide
CID 111067891
N'-[2-(4-chlorophenyl)-2-ethylbutyl]morpholine-4-carboximidamide;hydroiodide
CID 111097140
N'-(3-benzylsulfonylpropyl)morpholine-4-carboximidamide
CID 111065176
N'-(3-cyclopropylpropyl)morpholine-4-carboximidamide
CID 111816668
N'-[3-(4-methoxyphenoxy)propyl]morpholine-4-carboximidamide;hydroiodide
CID 111079416
3-[4-(morpholin-4-ylmethyl)phenyl]propan-1-amine
CID 83384330
N'-[3-(4-fluorophenyl)sulfanylpropyl]morpholine-4-carboximidamide;hydroiodide
CID 111027849

Frequently Asked Questions

What is the IUPAC name of N'-[3-(4-chlorophenyl)propyl]morpholine-4-carboximidamide?
The IUPAC name of N'-[3-(4-chlorophenyl)propyl]morpholine-4-carboximidamide (CID 100674114) is N'-[3-(4-chlorophenyl)propyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[3-(4-chlorophenyl)propyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[3-(4-chlorophenyl)propyl]morpholine-4-carboximidamide is N/C(=N\CCCc1ccc(Cl)cc1)N1CCOCC1.
What is the InChIKey of N'-[3-(4-chlorophenyl)propyl]morpholine-4-carboximidamide?
The InChIKey is ZIUHLUOCPVVCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c15-13-5-3-12(4-6-13)2-1-7-17-14(16)18-8-10-19-11-9-18/h3-6H,1-2,7-11H2,(H2,16,17).
What are the key properties of N'-[3-(4-chlorophenyl)propyl]morpholine-4-carboximidamide?
N'-[3-(4-chlorophenyl)propyl]morpholine-4-carboximidamide has a molecular weight of 281.79 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(4-chlorophenyl)propyl]morpholine-4-carboximidamide is sourced from PubChem (CID 100674114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).