2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(cyclopropylmethyl)-3-ethylguanidine

C19H29ClN4O — CID 111870731

IUPAC2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(cyclopropylmethyl)-3-ethylguanidine
SMILESCCN/C(=N\CC(c1ccccc1Cl)N1CCOCC1)NCC1CC1
InChIInChI=1S/C19H29ClN4O/c1-2-21-19(22-13-15-7-8-15)23-14-18(24-9-11-25-12-10-24)16-5-3-4-6-17(16)20/h3-6,15,18H,2,7-14H2,1H3,(H2,21,22,23)
InChIKeyPYGVLLDAIFKPBE-UHFFFAOYSA-N
MW364.92 g/mol
LogP2.68
Rot. Bonds7

About 2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(cyclopropylmethyl)-3-ethylguanidine

2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(cyclopropylmethyl)-3-ethylguanidine (PubChem CID 111870731) 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-(cyclopropylmethyl)-3-ethylguanidine.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(cyclopropylmethyl)-3-ethylguanidine
PubChem CID111870731
Molecular FormulaC19H29ClN4O
Molecular Weight364.92 g/mol
Exact Mass364.20
IUPAC Name2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(cyclopropylmethyl)-3-ethylguanidine
SMILESCCN/C(=N\CC(c1ccccc1Cl)N1CCOCC1)NCC1CC1
InChIInChI=1S/C19H29ClN4O/c1-2-21-19(22-13-15-7-8-15)23-14-18(24-9-11-25-12-10-24)16-5-3-4-6-17(16)20/h3-6,15,18H,2,7-14H2,1H3,(H2,21,22,23)
InChIKeyPYGVLLDAIFKPBE-UHFFFAOYSA-N
XLogP2.68
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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-ethyl-3-(2-methylcyclopropyl)guanidine
CID 111963557
1-(cyclopropylmethyl)-3-ethyl-2-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111867477
3-[[N'-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-N-ethylcarbamimidoyl]amino]-N,N-diethylpropanamide;hydroiodide
CID 111942298
2-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-(cyclopropylmethyl)-3-ethylguanidine;hydroiodide
CID 111998580
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]-1-ethyl-3-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine;hydroiodide
CID 111146850
1-ethyl-3-[(1-methylpiperidin-4-yl)methyl]-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111284800
2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]guanidine
CID 110914972
2-[[[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111364201
1-ethyl-2-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-[(1-methylpiperidin-3-yl)methyl]guanidine
CID 111765687
1-tert-butyl-2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111054726
1-cyclopropyl-3-ethyl-2-(2-morpholin-4-yl-2-phenylethyl)guanidine
CID 110988168

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(cyclopropylmethyl)-3-ethylguanidine?
The IUPAC name of 2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(cyclopropylmethyl)-3-ethylguanidine (CID 111870731) is 2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(cyclopropylmethyl)-3-ethylguanidine.
What is the SMILES notation for 2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(cyclopropylmethyl)-3-ethylguanidine?
The canonical SMILES for 2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(cyclopropylmethyl)-3-ethylguanidine is CCN/C(=N\CC(c1ccccc1Cl)N1CCOCC1)NCC1CC1.
What is the InChIKey of 2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(cyclopropylmethyl)-3-ethylguanidine?
The InChIKey is PYGVLLDAIFKPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN4O/c1-2-21-19(22-13-15-7-8-15)23-14-18(24-9-11-25-12-10-24)16-5-3-4-6-17(16)20/h3-6,15,18H,2,7-14H2,1H3,(H2,21,22,23).
What are the key properties of 2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(cyclopropylmethyl)-3-ethylguanidine?
2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(cyclopropylmethyl)-3-ethylguanidine has a molecular weight of 364.92 g/mol, XLogP of 2.68, 7 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-(cyclopropylmethyl)-3-ethylguanidine is sourced from PubChem (CID 111870731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).