2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-cyclopropyl-3-ethylguanidine;hydroiodide

C18H28ClIN4O — CID 110988225

IUPAC2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-cyclopropyl-3-ethylguanidine;hydroiodide
SMILESCCN/C(=N\CC(c1ccc(Cl)cc1)N1CCOCC1)NC1CC1.I
InChIInChI=1S/C18H27ClN4O.HI/c1-2-20-18(22-16-7-8-16)21-13-17(23-9-11-24-12-10-23)14-3-5-15(19)6-4-14;/h3-6,16-17H,2,7-13H2,1H3,(H2,20,21,22);1H
InChIKeyKIQDTLRBERARLY-UHFFFAOYSA-N
MW478.81 g/mol
LogP3.05
Rot. Bonds6

About 2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-cyclopropyl-3-ethylguanidine;hydroiodide

2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-cyclopropyl-3-ethylguanidine;hydroiodide (PubChem CID 110988225) has the molecular formula C18H28ClIN4O and a molecular weight of 478.81 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-cyclopropyl-3-ethylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-cyclopropyl-3-ethylguanidine;hydroiodide
PubChem CID110988225
Molecular FormulaC18H28ClIN4O
Molecular Weight478.81 g/mol
Exact Mass478.10
IUPAC Name2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-cyclopropyl-3-ethylguanidine;hydroiodide
SMILESCCN/C(=N\CC(c1ccc(Cl)cc1)N1CCOCC1)NC1CC1.I
InChIInChI=1S/C18H27ClN4O.HI/c1-2-20-18(22-16-7-8-16)21-13-17(23-9-11-24-12-10-23)14-3-5-15(19)6-4-14;/h3-6,16-17H,2,7-13H2,1H3,(H2,20,21,22);1H
InChIKeyKIQDTLRBERARLY-UHFFFAOYSA-N
XLogP3.05
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.81
LogP ≤ 53.05
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-cyclopropyl-3-ethyl-2-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]guanidine
CID 110989433
1-cyclopropyl-3-ethyl-2-(2-morpholin-4-yl-2-phenylethyl)guanidine
CID 110988168
2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-(1,1-dioxothiolan-3-yl)-3-ethylguanidine
CID 111142797
2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-prop-2-enylguanidine
CID 110980663
2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-(2-ethoxyethyl)-3-ethylguanidine;hydroiodide
CID 111895744
2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111235548
2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-(3-ethoxypropyl)-3-ethylguanidine
CID 111222889
1-cyclopropyl-3-ethyl-2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]guanidine
CID 110988194
2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
CID 111190377
1-ethyl-2-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(3-methylsulfanylcyclopentyl)guanidine
CID 111530423
2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 111356299
2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-cyclohexylguanidine;hydroiodide
CID 111087032

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-cyclopropyl-3-ethylguanidine;hydroiodide?
The IUPAC name of 2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-cyclopropyl-3-ethylguanidine;hydroiodide (CID 110988225) is 2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-cyclopropyl-3-ethylguanidine;hydroiodide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-cyclopropyl-3-ethylguanidine;hydroiodide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-cyclopropyl-3-ethylguanidine;hydroiodide is CCN/C(=N\CC(c1ccc(Cl)cc1)N1CCOCC1)NC1CC1.I.
What is the InChIKey of 2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-cyclopropyl-3-ethylguanidine;hydroiodide?
The InChIKey is KIQDTLRBERARLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN4O.HI/c1-2-20-18(22-16-7-8-16)21-13-17(23-9-11-24-12-10-23)14-3-5-15(19)6-4-14;/h3-6,16-17H,2,7-13H2,1H3,(H2,20,21,22);1H.
What are the key properties of 2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-cyclopropyl-3-ethylguanidine;hydroiodide?
2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-cyclopropyl-3-ethylguanidine;hydroiodide has a molecular weight of 478.81 g/mol, XLogP of 3.05, 6 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-morpholin-4-ylethyl]-1-cyclopropyl-3-ethylguanidine;hydroiodide is sourced from PubChem (CID 110988225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).