N'-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(diethylamino)-N-ethylpyrrolidine-1-carboximidamide

C19H31ClN4O — CID 111990371

IUPACN'-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(diethylamino)-N-ethylpyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CC(O)c1ccccc1Cl)N1CCC(N(CC)CC)C1
InChIInChI=1S/C19H31ClN4O/c1-4-21-19(24-12-11-15(14-24)23(5-2)6-3)22-13-18(25)16-9-7-8-10-17(16)20/h7-10,15,18,25H,4-6,11-14H2,1-3H3,(H,21,22)
InChIKeyVWMLSAGHDBUJNS-UHFFFAOYSA-N
MW366.94 g/mol
LogP2.76
Rot. Bonds7

About N'-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(diethylamino)-N-ethylpyrrolidine-1-carboximidamide

N'-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(diethylamino)-N-ethylpyrrolidine-1-carboximidamide (PubChem CID 111990371) has the molecular formula C19H31ClN4O and a molecular weight of 366.94 g/mol. Its IUPAC name is N'-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(diethylamino)-N-ethylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(diethylamino)-N-ethylpyrrolidine-1-carboximidamide
PubChem CID111990371
Molecular FormulaC19H31ClN4O
Molecular Weight366.94 g/mol
Exact Mass366.22
IUPAC NameN'-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(diethylamino)-N-ethylpyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CC(O)c1ccccc1Cl)N1CCC(N(CC)CC)C1
InChIInChI=1S/C19H31ClN4O/c1-4-21-19(24-12-11-15(14-24)23(5-2)6-3)22-13-18(25)16-9-7-8-10-17(16)20/h7-10,15,18,25H,4-6,11-14H2,1-3H3,(H,21,22)
InChIKeyVWMLSAGHDBUJNS-UHFFFAOYSA-N
XLogP2.76
TPSA51.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.94
LogP ≤ 52.76
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

N'-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111979740
N'-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(2,5-dihydropyrrol-1-yl)-N-ethylpyrrolidine-1-carboximidamide
CID 111996249
N'-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-ethyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 111995683
3-(diethylamino)-N-ethyl-N'-[3-(4-fluorophenoxy)-2-hydroxypropyl]pyrrolidine-1-carboximidamide
CID 111992479
N-ethyl-N'-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboximidamide
CID 111996315
N'-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-ethyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboximidamide
CID 111982199
2-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-(cyclopropylmethyl)-3-ethylguanidine;hydroiodide
CID 111998580
N'-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-ethyl-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide
CID 109435173
4-acetyl-N'-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide
CID 110963414
3-(diethylamino)-N-ethyl-N'-[2-[(2-methoxyphenyl)methoxy]ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 109404940
2-[[[3-(diethylamino)pyrrolidin-1-yl]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110039084
N'-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111737910

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(diethylamino)-N-ethylpyrrolidine-1-carboximidamide?
The IUPAC name of N'-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(diethylamino)-N-ethylpyrrolidine-1-carboximidamide (CID 111990371) is N'-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(diethylamino)-N-ethylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(diethylamino)-N-ethylpyrrolidine-1-carboximidamide?
The canonical SMILES for N'-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(diethylamino)-N-ethylpyrrolidine-1-carboximidamide is CCN/C(=N\CC(O)c1ccccc1Cl)N1CCC(N(CC)CC)C1.
What is the InChIKey of N'-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(diethylamino)-N-ethylpyrrolidine-1-carboximidamide?
The InChIKey is VWMLSAGHDBUJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31ClN4O/c1-4-21-19(24-12-11-15(14-24)23(5-2)6-3)22-13-18(25)16-9-7-8-10-17(16)20/h7-10,15,18,25H,4-6,11-14H2,1-3H3,(H,21,22).
What are the key properties of N'-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(diethylamino)-N-ethylpyrrolidine-1-carboximidamide?
N'-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(diethylamino)-N-ethylpyrrolidine-1-carboximidamide has a molecular weight of 366.94 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(diethylamino)-N-ethylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 111990371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).