2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine

C19H29ClN4O — CID 111963557

IUPAC2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine
SMILESCCN/C(=N\CC(c1ccccc1Cl)N1CCOCC1)NC1CC1C
InChIInChI=1S/C19H29ClN4O/c1-3-21-19(23-17-12-14(17)2)22-13-18(24-8-10-25-11-9-24)15-6-4-5-7-16(15)20/h4-7,14,17-18H,3,8-13H2,1-2H3,(H2,21,22,23)
InChIKeySHQHXKVIRMDWJK-UHFFFAOYSA-N
MW364.92 g/mol
LogP2.68
Rot. Bonds6

About 2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine

2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine (PubChem CID 111963557) has the molecular formula C19H29ClN4O and a molecular weight of 364.92 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine
PubChem CID111963557
Molecular FormulaC19H29ClN4O
Molecular Weight364.92 g/mol
Exact Mass364.20
IUPAC Name2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine
SMILESCCN/C(=N\CC(c1ccccc1Cl)N1CCOCC1)NC1CC1C
InChIInChI=1S/C19H29ClN4O/c1-3-21-19(23-17-12-14(17)2)22-13-18(24-8-10-25-11-9-24)15-6-4-5-7-16(15)20/h4-7,14,17-18H,3,8-13H2,1-2H3,(H2,21,22,23)
InChIKeySHQHXKVIRMDWJK-UHFFFAOYSA-N
XLogP2.68
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.92
LogP ≤ 52.68
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'}

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Related Compounds

2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(cyclopropylmethyl)-3-ethylguanidine
CID 111870731
1-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine
CID 111961881
3-[[N'-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-N-ethylcarbamimidoyl]amino]-N,N-diethylpropanamide;hydroiodide
CID 111942298
2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]guanidine
CID 110914972
2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine;hydroiodide
CID 111146850
1-cyclopropyl-3-ethyl-2-(2-morpholin-4-yl-2-phenylethyl)guanidine
CID 110988168
N'-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111737910
2-[[[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111364201
1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 111771894
2-[[N'-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-N-ethylcarbamimidoyl]-methylamino]-N,N-diethylacetamide
CID 111009387
N'-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]morpholine-4-carboximidamide
CID 111054719
1-tert-butyl-2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111054726

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine?
The IUPAC name of 2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine (CID 111963557) is 2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine.
What is the SMILES notation for 2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine?
The canonical SMILES for 2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine is CCN/C(=N\CC(c1ccccc1Cl)N1CCOCC1)NC1CC1C.
What is the InChIKey of 2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine?
The InChIKey is SHQHXKVIRMDWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN4O/c1-3-21-19(23-17-12-14(17)2)22-13-18(24-8-10-25-11-9-24)15-6-4-5-7-16(15)20/h4-7,14,17-18H,3,8-13H2,1-2H3,(H2,21,22,23).
What are the key properties of 2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine?
2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine has a molecular weight of 364.92 g/mol, XLogP of 2.68, 6 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-ethyl-3-(2-methylcyclopropyl)guanidine is sourced from PubChem (CID 111963557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).