N'-[(2-chlorophenyl)methyl]-N-ethylpyrrolidine-1-carboximidamide

C14H20ClN3 — CID 110955946

IUPACN'-[(2-chlorophenyl)methyl]-N-ethylpyrrolidine-1-carboximidamide
SMILESCCN/C(=N\Cc1ccccc1Cl)N1CCCC1
InChIInChI=1S/C14H20ClN3/c1-2-16-14(18-9-5-6-10-18)17-11-12-7-3-4-8-13(12)15/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,16,17)
InChIKeyOOTBPRKDSIAGID-UHFFFAOYSA-N
MW265.79 g/mol
LogP2.90
Rot. Bonds3

About N'-[(2-chlorophenyl)methyl]-N-ethylpyrrolidine-1-carboximidamide

N'-[(2-chlorophenyl)methyl]-N-ethylpyrrolidine-1-carboximidamide (PubChem CID 110955946) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is N'-[(2-chlorophenyl)methyl]-N-ethylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[(2-chlorophenyl)methyl]-N-ethylpyrrolidine-1-carboximidamide
PubChem CID110955946
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC NameN'-[(2-chlorophenyl)methyl]-N-ethylpyrrolidine-1-carboximidamide
SMILESCCN/C(=N\Cc1ccccc1Cl)N1CCCC1
InChIInChI=1S/C14H20ClN3/c1-2-16-14(18-9-5-6-10-18)17-11-12-7-3-4-8-13(12)15/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,16,17)
InChIKeyOOTBPRKDSIAGID-UHFFFAOYSA-N
XLogP2.90
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 52.90
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'}

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Related Compounds

N'-[[2-(diethylaminomethyl)phenyl]methyl]-N-ethylpyrrolidine-1-carboximidamide
CID 110956588
N'-[(2-ethoxyphenyl)methyl]-N-ethylpyrrolidine-1-carboximidamide
CID 110956764
N'-[[2-(dimethylsulfamoyl)phenyl]methyl]-N-ethylpyrrolidine-1-carboximidamide
CID 110956660
N'-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-N-ethylpyrrolidine-1-carboximidamide
CID 110955424
2-[(2-chlorophenyl)methyl]-1,3-diethylguanidine;hydroiodide
CID 110924859
N-ethyl-N'-(thiophen-2-ylmethyl)pyrrolidine-1-carboximidamide
CID 110955756
2-[(2-chlorophenyl)methyl]-1-ethylguanidine
CID 62364154
4-(2-chlorophenyl)-N-ethyl-N'-[[2-(methanesulfonamido)phenyl]methyl]piperazine-1-carboximidamide;hydroiodide
CID 111177473
4-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-N'-[[2-(hydroxymethyl)phenyl]methyl]piperazine-1-carboximidamide
CID 111419647
4-acetyl-N'-benzyl-N-ethylpiperazine-1-carboximidamide
CID 110962963
2-[(2-chlorophenyl)methyl]-1-ethyl-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]guanidine
CID 111174641
N-ethyl-N'-[(3-hydroxyphenyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110956789

Frequently Asked Questions

What is the IUPAC name of N'-[(2-chlorophenyl)methyl]-N-ethylpyrrolidine-1-carboximidamide?
The IUPAC name of N'-[(2-chlorophenyl)methyl]-N-ethylpyrrolidine-1-carboximidamide (CID 110955946) is N'-[(2-chlorophenyl)methyl]-N-ethylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-[(2-chlorophenyl)methyl]-N-ethylpyrrolidine-1-carboximidamide?
The canonical SMILES for N'-[(2-chlorophenyl)methyl]-N-ethylpyrrolidine-1-carboximidamide is CCN/C(=N\Cc1ccccc1Cl)N1CCCC1.
What is the InChIKey of N'-[(2-chlorophenyl)methyl]-N-ethylpyrrolidine-1-carboximidamide?
The InChIKey is OOTBPRKDSIAGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3/c1-2-16-14(18-9-5-6-10-18)17-11-12-7-3-4-8-13(12)15/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,16,17).
What are the key properties of N'-[(2-chlorophenyl)methyl]-N-ethylpyrrolidine-1-carboximidamide?
N'-[(2-chlorophenyl)methyl]-N-ethylpyrrolidine-1-carboximidamide has a molecular weight of 265.79 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-chlorophenyl)methyl]-N-ethylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 110955946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).