1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine

C19H28ClFN4O — CID 111771894

IUPAC1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
SMILESCCN/C(=N\CC(C)N1CCOCC1)NC1CC1c1c(F)cccc1Cl
InChIInChI=1S/C19H28ClFN4O/c1-3-22-19(23-12-13(2)25-7-9-26-10-8-25)24-17-11-14(17)18-15(20)5-4-6-16(18)21/h4-6,13-14,17H,3,7-12H2,1-2H3,(H2,22,23,24)
InChIKeyAOQDYJSXXXNLMS-UHFFFAOYSA-N
MW382.91 g/mol
LogP2.61
Rot. Bonds6

About 1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine

1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine (PubChem CID 111771894) has the molecular formula C19H28ClFN4O and a molecular weight of 382.91 g/mol. Its IUPAC name is 1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine.

Molecular Properties

Compound Name1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
PubChem CID111771894
Molecular FormulaC19H28ClFN4O
Molecular Weight382.91 g/mol
Exact Mass382.19
IUPAC Name1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
SMILESCCN/C(=N\CC(C)N1CCOCC1)NC1CC1c1c(F)cccc1Cl
InChIInChI=1S/C19H28ClFN4O/c1-3-22-19(23-12-13(2)25-7-9-26-10-8-25)24-17-11-14(17)18-15(20)5-4-6-16(18)21/h4-6,13-14,17H,3,7-12H2,1-2H3,(H2,22,23,24)
InChIKeyAOQDYJSXXXNLMS-UHFFFAOYSA-N
XLogP2.61
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.91
LogP ≤ 52.61
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

1-[2-(2,6-difluorophenyl)cyclopropyl]-3-ethyl-2-(2-morpholin-4-ylethyl)guanidine
CID 111793180
1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-2-methyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111774591
1-[2-(2,6-difluorophenyl)cyclopropyl]-3-ethyl-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111797171
2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine
CID 111963557
1-ethyl-2-(2-morpholin-4-ylpropyl)-3-(2-propylcyclopropyl)guanidine
CID 111713658
1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-3-ethyl-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine;hydroiodide
CID 111772543
1,3-diethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 110915060
1-cyclopropyl-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 110987978
1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111818745
N-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N'-ethyl-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide
CID 119160786
3,4-dichloro-N-[2-[[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]amino]ethyl]benzamide
CID 111020933
1-ethyl-3-[2-(2-fluorophenoxy)butyl]-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111968292

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine?
The IUPAC name of 1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine (CID 111771894) is 1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine.
What is the SMILES notation for 1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine?
The canonical SMILES for 1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine is CCN/C(=N\CC(C)N1CCOCC1)NC1CC1c1c(F)cccc1Cl.
What is the InChIKey of 1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine?
The InChIKey is AOQDYJSXXXNLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClFN4O/c1-3-22-19(23-12-13(2)25-7-9-26-10-8-25)24-17-11-14(17)18-15(20)5-4-6-16(18)21/h4-6,13-14,17H,3,7-12H2,1-2H3,(H2,22,23,24).
What are the key properties of 1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine?
1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine has a molecular weight of 382.91 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine is sourced from PubChem (CID 111771894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).