2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide

C17H28ClIN4O2 — CID 111054784

IUPAC2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
SMILESCOCC(C)N/C(N)=N/CC(c1ccccc1Cl)N1CCOCC1.I
InChIInChI=1S/C17H27ClN4O2.HI/c1-13(12-23-2)21-17(19)20-11-16(22-7-9-24-10-8-22)14-5-3-4-6-15(14)18;/h3-6,13,16H,7-12H2,1-2H3,(H3,19,20,21);1H
InChIKeyQGMIAZPJJXMUQR-UHFFFAOYSA-N
MW482.79 g/mol
LogP2.27
Rot. Bonds7

About 2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide

2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide (PubChem CID 111054784) has the molecular formula C17H28ClIN4O2 and a molecular weight of 482.79 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
PubChem CID111054784
Molecular FormulaC17H28ClIN4O2
Molecular Weight482.79 g/mol
Exact Mass482.09
IUPAC Name2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
SMILESCOCC(C)N/C(N)=N/CC(c1ccccc1Cl)N1CCOCC1.I
InChIInChI=1S/C17H27ClN4O2.HI/c1-13(12-23-2)21-17(19)20-11-16(22-7-9-24-10-8-22)14-5-3-4-6-15(14)18;/h3-6,13,16H,7-12H2,1-2H3,(H3,19,20,21);1H
InChIKeyQGMIAZPJJXMUQR-UHFFFAOYSA-N
XLogP2.27
TPSA72.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.79
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(1-methoxypropan-2-yl)guanidine
CID 111054785
1-tert-butyl-2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111054726
2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine;hydroiodide
CID 110925272
2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]guanidine
CID 110914972
1-(1-methoxypropan-2-yl)-2-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]guanidine;hydroiodide
CID 111094332
1-(1-methoxypropan-2-yl)-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine
CID 111029818
2-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111054506
2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(3,4-dimethylphenyl)guanidine;hydroiodide
CID 111054728
2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]guanidine
CID 111054735
N'-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]morpholine-4-carboximidamide
CID 111054719
2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(3-methylphenyl)guanidine
CID 111054709
2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(3-ethylphenyl)guanidine
CID 111054747

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide?
The IUPAC name of 2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide (CID 111054784) is 2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide.
What is the SMILES notation for 2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide?
The canonical SMILES for 2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide is COCC(C)N/C(N)=N/CC(c1ccccc1Cl)N1CCOCC1.I.
What is the InChIKey of 2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide?
The InChIKey is QGMIAZPJJXMUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN4O2.HI/c1-13(12-23-2)21-17(19)20-11-16(22-7-9-24-10-8-22)14-5-3-4-6-15(14)18;/h3-6,13,16H,7-12H2,1-2H3,(H3,19,20,21);1H.
What are the key properties of 2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide?
2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide has a molecular weight of 482.79 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide is sourced from PubChem (CID 111054784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).