2-[2-(4-chlorophenyl)-2-methylpropyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide

C19H32ClIN4O — CID 111188054

IUPAC2-[2-(4-chlorophenyl)-2-methylpropyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(C)(C)c1ccc(Cl)cc1)NCCN1CCOCC1.I
InChIInChI=1S/C19H31ClN4O.HI/c1-4-21-18(22-9-10-24-11-13-25-14-12-24)23-15-19(2,3)16-5-7-17(20)8-6-16;/h5-8H,4,9-15H2,1-3H3,(H2,21,22,23);1H
InChIKeyOUWHJTMGFFUSNB-UHFFFAOYSA-N
MW494.85 g/mol
LogP3.12
Rot. Bonds7

About 2-[2-(4-chlorophenyl)-2-methylpropyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide

2-[2-(4-chlorophenyl)-2-methylpropyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide (PubChem CID 111188054) has the molecular formula C19H32ClIN4O and a molecular weight of 494.85 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-2-methylpropyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-2-methylpropyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
PubChem CID111188054
Molecular FormulaC19H32ClIN4O
Molecular Weight494.85 g/mol
Exact Mass494.13
IUPAC Name2-[2-(4-chlorophenyl)-2-methylpropyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(C)(C)c1ccc(Cl)cc1)NCCN1CCOCC1.I
InChIInChI=1S/C19H31ClN4O.HI/c1-4-21-18(22-9-10-24-11-13-25-14-12-24)23-15-19(2,3)16-5-7-17(20)8-6-16;/h5-8H,4,9-15H2,1-3H3,(H2,21,22,23);1H
InChIKeyOUWHJTMGFFUSNB-UHFFFAOYSA-N
XLogP3.12
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.85
LogP ≤ 53.12
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-ethyl-2-[2-(4-fluorophenyl)-2-methylpropyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111187538
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111188668
1-[2-(4-chlorophenyl)-2-methylpropyl]-3-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)guanidine
CID 111658202
2-[(4-chlorophenyl)methyl]-1-ethyl-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 110972244
2-[2-(4-chlorophenoxy)propyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine
CID 111511915
2-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine
CID 111755235
2-(2,2-dimethyl-3-phenylpropyl)-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine
CID 111619318
2-[(2,4-dichlorophenyl)methyl]-1-ethyl-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 110972268
1-ethyl-2-(2-methyl-2-methylsulfanylpropyl)-3-(2-morpholin-4-ylethyl)guanidine
CID 111611486
2-[(3-chloro-4-fluorophenyl)methyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine
CID 111187317
4-chloro-N-[2-[[N-ethyl-N'-(2-methyl-2-morpholin-4-ylpropyl)carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111313263
1-[2-(4-chlorophenoxy)ethyl]-3-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)guanidine
CID 111658482

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-2-methylpropyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide?
The IUPAC name of 2-[2-(4-chlorophenyl)-2-methylpropyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide (CID 111188054) is 2-[2-(4-chlorophenyl)-2-methylpropyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-2-methylpropyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-2-methylpropyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide is CCN/C(=N\CC(C)(C)c1ccc(Cl)cc1)NCCN1CCOCC1.I.
What is the InChIKey of 2-[2-(4-chlorophenyl)-2-methylpropyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide?
The InChIKey is OUWHJTMGFFUSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31ClN4O.HI/c1-4-21-18(22-9-10-24-11-13-25-14-12-24)23-15-19(2,3)16-5-7-17(20)8-6-16;/h5-8H,4,9-15H2,1-3H3,(H2,21,22,23);1H.
What are the key properties of 2-[2-(4-chlorophenyl)-2-methylpropyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide?
2-[2-(4-chlorophenyl)-2-methylpropyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide has a molecular weight of 494.85 g/mol, XLogP of 3.12, 7 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-methylpropyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111188054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).