2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine;hydroiodide

C19H24ClIN4O — CID 110925272

IUPAC2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine;hydroiodide
SMILESI.N/C(=N\CC(c1ccccc1Cl)N1CCOCC1)Nc1ccccc1
InChIInChI=1S/C19H23ClN4O.HI/c20-17-9-5-4-8-16(17)18(24-10-12-25-13-11-24)14-22-19(21)23-15-6-2-1-3-7-15;/h1-9,18H,10-14H2,(H3,21,22,23);1H
InChIKeyABDRVFHYGBDPBI-UHFFFAOYSA-N
MW486.79 g/mol
LogP3.76
Rot. Bonds5

About 2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine;hydroiodide

2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine;hydroiodide (PubChem CID 110925272) has the molecular formula C19H24ClIN4O and a molecular weight of 486.79 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine;hydroiodide
PubChem CID110925272
Molecular FormulaC19H24ClIN4O
Molecular Weight486.79 g/mol
Exact Mass486.07
IUPAC Name2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine;hydroiodide
SMILESI.N/C(=N\CC(c1ccccc1Cl)N1CCOCC1)Nc1ccccc1
InChIInChI=1S/C19H23ClN4O.HI/c20-17-9-5-4-8-16(17)18(24-10-12-25-13-11-24)14-22-19(21)23-15-6-2-1-3-7-15;/h1-9,18H,10-14H2,(H3,21,22,23);1H
InChIKeyABDRVFHYGBDPBI-UHFFFAOYSA-N
XLogP3.76
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.79
LogP ≤ 53.76
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

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
2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(3,4-dimethylphenyl)guanidine;hydroiodide
CID 111054728
1-tert-butyl-2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111054726
2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]guanidine
CID 110914972
N'-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]morpholine-4-carboximidamide
CID 111054719
2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine;hydroiodide
CID 110916922
2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111054784
2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(1-methoxypropan-2-yl)guanidine
CID 111054785
2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine
CID 110925404
2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine;hydroiodide
CID 110925124
2-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-phenylguanidine
CID 111456543

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine;hydroiodide?
The IUPAC name of 2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine;hydroiodide (CID 110925272) is 2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine;hydroiodide.
What is the SMILES notation for 2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine;hydroiodide?
The canonical SMILES for 2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine;hydroiodide is I.N/C(=N\CC(c1ccccc1Cl)N1CCOCC1)Nc1ccccc1.
What is the InChIKey of 2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine;hydroiodide?
The InChIKey is ABDRVFHYGBDPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O.HI/c20-17-9-5-4-8-16(17)18(24-10-12-25-13-11-24)14-22-19(21)23-15-6-2-1-3-7-15;/h1-9,18H,10-14H2,(H3,21,22,23);1H.
What are the key properties of 2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine;hydroiodide?
2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine;hydroiodide has a molecular weight of 486.79 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine;hydroiodide is sourced from PubChem (CID 110925272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).