(3R)-N'-[2-(diethylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide;hydroiodide

C20H32F3IN4O — CID 111551455

IUPAC(3R)-N'-[2-(diethylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC(c1ccc(C(F)(F)F)cc1)N(CC)CC)N1CC[C@@H](O)C1.I
InChIInChI=1S/C20H31F3N4O.HI/c1-4-24-19(27-12-11-17(28)14-27)25-13-18(26(5-2)6-3)15-7-9-16(10-8-15)20(21,22)23;/h7-10,17-18,28H,4-6,11-14H2,1-3H3,(H,24,25);1H/t17-,18?;/m1./s1
InChIKeyQEOBBPJIFRCALH-XRVQSCEISA-N
MW528.40 g/mol
LogP3.74
Rot. Bonds7

About (3R)-N'-[2-(diethylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide;hydroiodide

(3R)-N'-[2-(diethylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 111551455) has the molecular formula C20H32F3IN4O and a molecular weight of 528.40 g/mol. Its IUPAC name is (3R)-N'-[2-(diethylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name(3R)-N'-[2-(diethylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide;hydroiodide
PubChem CID111551455
Molecular FormulaC20H32F3IN4O
Molecular Weight528.40 g/mol
Exact Mass528.16
IUPAC Name(3R)-N'-[2-(diethylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC(c1ccc(C(F)(F)F)cc1)N(CC)CC)N1CC[C@@H](O)C1.I
InChIInChI=1S/C20H31F3N4O.HI/c1-4-24-19(27-12-11-17(28)14-27)25-13-18(26(5-2)6-3)15-7-9-16(10-8-15)20(21,22)23;/h7-10,17-18,28H,4-6,11-14H2,1-3H3,(H,24,25);1H/t17-,18?;/m1./s1
InChIKeyQEOBBPJIFRCALH-XRVQSCEISA-N
XLogP3.74
TPSA51.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.40
LogP ≤ 53.74
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze (3R)-N'-[2-(diethylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-N-ethyl-3-hydroxy-N'-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111550693
(3R)-N'-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide
CID 111551390
(3R)-N-ethyl-3-hydroxy-N'-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111550603
(3R)-N-ethyl-N'-(2-ethylbutyl)-3-hydroxypyrrolidine-1-carboximidamide
CID 111991101
methyl 1-[N'-[2-(diethylamino)-2-phenylethyl]-N-ethylcarbamimidoyl]piperidine-4-carboxylate
CID 111252103
(3R)-N'-(3,3-diphenylpropyl)-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide;hydroiodide
CID 111550547
(3R)-N'-[2-(4-chlorophenyl)-2-methylpropyl]-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide;hydroiodide
CID 111550925
(3R)-N-ethyl-3-hydroxy-N'-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyrrolidine-1-carboximidamide
CID 111550930
(3R)-N'-[2-[cyclopropyl(ethyl)amino]ethyl]-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide
CID 111550264
(3R)-N-ethyl-3-hydroxy-N'-(3-phenylbutyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111551447
(3R)-N-ethyl-3-hydroxy-N'-[2-(4-methoxyphenyl)-2-methylpropyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111551235
(3R)-N-ethyl-3-hydroxy-N'-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]pyrrolidine-1-carboximidamide
CID 111550656

Frequently Asked Questions

What is the IUPAC name of (3R)-N'-[2-(diethylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of (3R)-N'-[2-(diethylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide;hydroiodide (CID 111551455) is (3R)-N'-[2-(diethylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for (3R)-N'-[2-(diethylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for (3R)-N'-[2-(diethylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide;hydroiodide is CCN/C(=N\CC(c1ccc(C(F)(F)F)cc1)N(CC)CC)N1CC[C@@H](O)C1.I.
What is the InChIKey of (3R)-N'-[2-(diethylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is QEOBBPJIFRCALH-XRVQSCEISA-N. The full InChI is InChI=1S/C20H31F3N4O.HI/c1-4-24-19(27-12-11-17(28)14-27)25-13-18(26(5-2)6-3)15-7-9-16(10-8-15)20(21,22)23;/h7-10,17-18,28H,4-6,11-14H2,1-3H3,(H,24,25);1H/t17-,18?;/m1./s1.
What are the key properties of (3R)-N'-[2-(diethylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide;hydroiodide?
(3R)-N'-[2-(diethylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 528.40 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N'-[2-(diethylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111551455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).