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

C16H25N3O — CID 110956764

IUPACN'-[(2-ethoxyphenyl)methyl]-N-ethylpyrrolidine-1-carboximidamide
SMILESCCN/C(=N\Cc1ccccc1OCC)N1CCCC1
InChIInChI=1S/C16H25N3O/c1-3-17-16(19-11-7-8-12-19)18-13-14-9-5-6-10-15(14)20-4-2/h5-6,9-10H,3-4,7-8,11-13H2,1-2H3,(H,17,18)
InChIKeyNNTHCHDCBUHUEQ-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.65
Rot. Bonds5

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

N'-[(2-ethoxyphenyl)methyl]-N-ethylpyrrolidine-1-carboximidamide (PubChem CID 110956764) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N'-[(2-ethoxyphenyl)methyl]-N-ethylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[(2-ethoxyphenyl)methyl]-N-ethylpyrrolidine-1-carboximidamide
PubChem CID110956764
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN'-[(2-ethoxyphenyl)methyl]-N-ethylpyrrolidine-1-carboximidamide
SMILESCCN/C(=N\Cc1ccccc1OCC)N1CCCC1
InChIInChI=1S/C16H25N3O/c1-3-17-16(19-11-7-8-12-19)18-13-14-9-5-6-10-15(14)20-4-2/h5-6,9-10H,3-4,7-8,11-13H2,1-2H3,(H,17,18)
InChIKeyNNTHCHDCBUHUEQ-UHFFFAOYSA-N
XLogP2.65
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[2-(dimethylamino)ethoxy]phenyl]methyl]-N-ethylpyrrolidine-1-carboximidamide
CID 110955424
N'-[(2-chlorophenyl)methyl]-N-ethylpyrrolidine-1-carboximidamide
CID 110955946
N'-[[2-(diethylaminomethyl)phenyl]methyl]-N-ethylpyrrolidine-1-carboximidamide
CID 110956588
N'-[(2-ethoxyphenyl)methyl]-N-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide
CID 111747356
ethyl 1-[N'-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-N-ethylcarbamimidoyl]piperidine-4-carboxylate
CID 111157885
N'-[(2-cyclopentyloxyphenyl)methyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 111960196
methyl 1-[N-ethyl-N'-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111252316
methyl 1-[N'-[2-(2-ethoxyphenyl)ethyl]-N-ethylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111254846
N'-[2-(2-ethoxyphenyl)ethyl]-N-ethyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111207699
2-[(2-ethoxyphenyl)methyl]-1-ethyl-3-propan-2-ylguanidine
CID 111125222
N'-[[2-(dimethylsulfamoyl)phenyl]methyl]-N-ethylpyrrolidine-1-carboximidamide
CID 110956660
N-ethyl-N'-(thiophen-2-ylmethyl)pyrrolidine-1-carboximidamide
CID 110955756

Frequently Asked Questions

What is the IUPAC name of N'-[(2-ethoxyphenyl)methyl]-N-ethylpyrrolidine-1-carboximidamide?
The IUPAC name of N'-[(2-ethoxyphenyl)methyl]-N-ethylpyrrolidine-1-carboximidamide (CID 110956764) is N'-[(2-ethoxyphenyl)methyl]-N-ethylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-[(2-ethoxyphenyl)methyl]-N-ethylpyrrolidine-1-carboximidamide?
The canonical SMILES for N'-[(2-ethoxyphenyl)methyl]-N-ethylpyrrolidine-1-carboximidamide is CCN/C(=N\Cc1ccccc1OCC)N1CCCC1.
What is the InChIKey of N'-[(2-ethoxyphenyl)methyl]-N-ethylpyrrolidine-1-carboximidamide?
The InChIKey is NNTHCHDCBUHUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-17-16(19-11-7-8-12-19)18-13-14-9-5-6-10-15(14)20-4-2/h5-6,9-10H,3-4,7-8,11-13H2,1-2H3,(H,17,18).
What are the key properties of N'-[(2-ethoxyphenyl)methyl]-N-ethylpyrrolidine-1-carboximidamide?
N'-[(2-ethoxyphenyl)methyl]-N-ethylpyrrolidine-1-carboximidamide has a molecular weight of 275.40 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-ethoxyphenyl)methyl]-N-ethylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 110956764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).