N'-[2-(2,4-difluorophenyl)ethyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide

C15H22F2IN3 — CID 111546440

IUPACN'-[2-(2,4-difluorophenyl)ethyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCc1ccc(F)cc1F)N1CCCC1.I
InChIInChI=1S/C15H21F2N3.HI/c1-2-18-15(20-9-3-4-10-20)19-8-7-12-5-6-13(16)11-14(12)17;/h5-6,11H,2-4,7-10H2,1H3,(H,18,19);1H
InChIKeyMASJSGCWJSCIMW-UHFFFAOYSA-N
MW409.26 g/mol
LogP3.19
Rot. Bonds4

About N'-[2-(2,4-difluorophenyl)ethyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide

N'-[2-(2,4-difluorophenyl)ethyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 111546440) has the molecular formula C15H22F2IN3 and a molecular weight of 409.26 g/mol. Its IUPAC name is N'-[2-(2,4-difluorophenyl)ethyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(2,4-difluorophenyl)ethyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide
PubChem CID111546440
Molecular FormulaC15H22F2IN3
Molecular Weight409.26 g/mol
Exact Mass409.08
IUPAC NameN'-[2-(2,4-difluorophenyl)ethyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCc1ccc(F)cc1F)N1CCCC1.I
InChIInChI=1S/C15H21F2N3.HI/c1-2-18-15(20-9-3-4-10-20)19-8-7-12-5-6-13(16)11-14(12)17;/h5-6,11H,2-4,7-10H2,1H3,(H,18,19);1H
InChIKeyMASJSGCWJSCIMW-UHFFFAOYSA-N
XLogP3.19
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.26
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

N'-[2-(5-bromo-2-fluorophenyl)ethyl]-N-ethylpyrrolidine-1-carboximidamide
CID 110956838
N'-[2-(4-chlorophenyl)ethyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide
CID 110955953
N'-[2-(2,4-difluorophenyl)ethyl]-N-ethyl-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide
CID 109436535
N-ethyl-N'-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110956609
1-cyclopropyl-2-[2-(2,4-difluorophenyl)ethyl]-3-ethylguanidine;hydroiodide
CID 111549026
N-ethyl-N'-[2-(6-fluoro-1H-indol-3-yl)ethyl]-4-(2-hydroxyphenyl)piperazine-1-carboximidamide;hydroiodide
CID 111186041
4-(2,5-difluorophenyl)-N-ethyl-N'-(4-pyrrolidin-1-ylbutyl)piperazine-1-carboximidamide
CID 109451249
4-(2,5-difluorophenyl)-N-ethyl-N'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 109451054
4-acetyl-N'-[(2,5-difluorophenyl)methyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide
CID 111547008
N-ethyl-N'-(2-naphthalen-2-ylethyl)pyrrolidine-1-carboximidamide
CID 110955638
N-[4-[2-[[ethylamino(pyrrolidin-1-yl)methylidene]amino]ethyl]phenyl]acetamide;hydroiodide
CID 110955547
4-acetyl-N'-[2-(2,6-difluorophenyl)ethyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide
CID 110962698

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,4-difluorophenyl)ethyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(2,4-difluorophenyl)ethyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide (CID 111546440) is N'-[2-(2,4-difluorophenyl)ethyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(2,4-difluorophenyl)ethyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(2,4-difluorophenyl)ethyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide is CCN/C(=N\CCc1ccc(F)cc1F)N1CCCC1.I.
What is the InChIKey of N'-[2-(2,4-difluorophenyl)ethyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is MASJSGCWJSCIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3.HI/c1-2-18-15(20-9-3-4-10-20)19-8-7-12-5-6-13(16)11-14(12)17;/h5-6,11H,2-4,7-10H2,1H3,(H,18,19);1H.
What are the key properties of N'-[2-(2,4-difluorophenyl)ethyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide?
N'-[2-(2,4-difluorophenyl)ethyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 409.26 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,4-difluorophenyl)ethyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111546440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).