2-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]guanidine;hydroiodide

C15H24ClIN4O — CID 110936786

IUPAC2-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]guanidine;hydroiodide
SMILESCC1(C)CN(C(CN=C(N)N)c2ccc(Cl)cc2)CCO1.I
InChIInChI=1S/C15H23ClN4O.HI/c1-15(2)10-20(7-8-21-15)13(9-19-14(17)18)11-3-5-12(16)6-4-11;/h3-6,13H,7-10H2,1-2H3,(H4,17,18,19);1H
InChIKeySURXWTQQVAWWPR-UHFFFAOYSA-N
MW438.74 g/mol
LogP2.38
Rot. Bonds4

About 2-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]guanidine;hydroiodide

2-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]guanidine;hydroiodide (PubChem CID 110936786) has the molecular formula C15H24ClIN4O and a molecular weight of 438.74 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]guanidine;hydroiodide
PubChem CID110936786
Molecular FormulaC15H24ClIN4O
Molecular Weight438.74 g/mol
Exact Mass438.07
IUPAC Name2-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]guanidine;hydroiodide
SMILESCC1(C)CN(C(CN=C(N)N)c2ccc(Cl)cc2)CCO1.I
InChIInChI=1S/C15H23ClN4O.HI/c1-15(2)10-20(7-8-21-15)13(9-19-14(17)18)11-3-5-12(16)6-4-11;/h3-6,13H,7-10H2,1-2H3,(H4,17,18,19);1H
InChIKeySURXWTQQVAWWPR-UHFFFAOYSA-N
XLogP2.38
TPSA76.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.74
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-butan-2-yl-2-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]guanidine;hydroiodide
CID 110936796
2-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-(2-methylprop-2-enyl)guanidine
CID 136859919
2-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-phenylguanidine
CID 110936795
1-(4-chlorophenyl)-1-(2,2-dimethylmorpholin-4-yl)propan-2-amine
CID 55015046
2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 119114926
N'-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]piperidine-1-carboximidamide
CID 111087099
2-(4-tert-butylphenyl)-2-(2,2-dimethylmorpholin-4-yl)ethanamine
CID 43592601
2-(2,2-dimethylmorpholin-4-yl)-2-(4-fluoro-3-methylphenyl)ethanamine
CID 62121310
1-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111407150
N-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119876547
(2S)-2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine
CID 124699693
2-(2,2-dimethylmorpholin-4-yl)-2-(4-ethoxyphenyl)ethanamine
CID 43592587

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]guanidine;hydroiodide?
The IUPAC name of 2-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]guanidine;hydroiodide (CID 110936786) is 2-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]guanidine;hydroiodide is CC1(C)CN(C(CN=C(N)N)c2ccc(Cl)cc2)CCO1.I.
What is the InChIKey of 2-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]guanidine;hydroiodide?
The InChIKey is SURXWTQQVAWWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4O.HI/c1-15(2)10-20(7-8-21-15)13(9-19-14(17)18)11-3-5-12(16)6-4-11;/h3-6,13H,7-10H2,1-2H3,(H4,17,18,19);1H.
What are the key properties of 2-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]guanidine;hydroiodide?
2-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]guanidine;hydroiodide has a molecular weight of 438.74 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 110936786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).