N'-ethyl-N-[2-(2-fluorophenyl)cyclopropyl]-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide

C20H30FN3O2 — CID 111748478

IUPACN'-ethyl-N-[2-(2-fluorophenyl)cyclopropyl]-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide
SMILESCC/N=C(/NC1CC1c1ccccc1F)N1CCC(COCCOC)C1
InChIInChI=1S/C20H30FN3O2/c1-3-22-20(24-9-8-15(13-24)14-26-11-10-25-2)23-19-12-17(19)16-6-4-5-7-18(16)21/h4-7,15,17,19H,3,8-14H2,1-2H3,(H,22,23)
InChIKeyYNKGHEJLILOSNQ-UHFFFAOYSA-N
MW363.48 g/mol
LogP2.63
Rot. Bonds8

About N'-ethyl-N-[2-(2-fluorophenyl)cyclopropyl]-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide

N'-ethyl-N-[2-(2-fluorophenyl)cyclopropyl]-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide (PubChem CID 111748478) has the molecular formula C20H30FN3O2 and a molecular weight of 363.48 g/mol. Its IUPAC name is N'-ethyl-N-[2-(2-fluorophenyl)cyclopropyl]-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-ethyl-N-[2-(2-fluorophenyl)cyclopropyl]-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide
PubChem CID111748478
Molecular FormulaC20H30FN3O2
Molecular Weight363.48 g/mol
Exact Mass363.23
IUPAC NameN'-ethyl-N-[2-(2-fluorophenyl)cyclopropyl]-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide
SMILESCC/N=C(/NC1CC1c1ccccc1F)N1CCC(COCCOC)C1
InChIInChI=1S/C20H30FN3O2/c1-3-22-20(24-9-8-15(13-24)14-26-11-10-25-2)23-19-12-17(19)16-6-4-5-7-18(16)21/h4-7,15,17,19H,3,8-14H2,1-2H3,(H,22,23)
InChIKeyYNKGHEJLILOSNQ-UHFFFAOYSA-N
XLogP2.63
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-ethyl-N-[2-(2-fluorophenyl)cyclopropyl]-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide
CID 111346441
N'-ethyl-N-[2-(2-fluorophenyl)cyclopropyl]-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide;hydroiodide
CID 111346440
1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]-2-[3-(2-methoxyethoxy)propyl]guanidine
CID 111405667
1-[2-(2-fluorophenyl)cyclopropyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine
CID 111405267
methyl 1-[N-[2-(2-fluorophenyl)cyclopropyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111252196
N'-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111747371
N-ethyl-3-(2-methoxyethoxymethyl)-N'-(2-phenylethyl)pyrrolidine-1-carboximidamide
CID 111746227
N-ethyl-3-(2-methoxyethoxymethyl)-N'-[(1-phenylcyclopropyl)methyl]pyrrolidine-1-carboximidamide
CID 111746992
N-[(3-fluorophenyl)methyl]-3-(2-methoxyethoxymethyl)-N'-methylpyrrolidine-1-carboximidamide
CID 111746768
N'-[(2-ethoxyphenyl)methyl]-N-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide
CID 111747356
2-[[[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-ylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110042285
1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]-2-(3-methoxypropyl)guanidine
CID 110976217

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-[2-(2-fluorophenyl)cyclopropyl]-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide?
The IUPAC name of N'-ethyl-N-[2-(2-fluorophenyl)cyclopropyl]-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide (CID 111748478) is N'-ethyl-N-[2-(2-fluorophenyl)cyclopropyl]-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-ethyl-N-[2-(2-fluorophenyl)cyclopropyl]-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide?
The canonical SMILES for N'-ethyl-N-[2-(2-fluorophenyl)cyclopropyl]-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide is CC/N=C(/NC1CC1c1ccccc1F)N1CCC(COCCOC)C1.
What is the InChIKey of N'-ethyl-N-[2-(2-fluorophenyl)cyclopropyl]-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide?
The InChIKey is YNKGHEJLILOSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FN3O2/c1-3-22-20(24-9-8-15(13-24)14-26-11-10-25-2)23-19-12-17(19)16-6-4-5-7-18(16)21/h4-7,15,17,19H,3,8-14H2,1-2H3,(H,22,23).
What are the key properties of N'-ethyl-N-[2-(2-fluorophenyl)cyclopropyl]-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide?
N'-ethyl-N-[2-(2-fluorophenyl)cyclopropyl]-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide has a molecular weight of 363.48 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-[2-(2-fluorophenyl)cyclopropyl]-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 111748478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).