N-[2-(4-fluorophenoxy)propyl]-N'-methyl-3-pyrrolidin-1-ylpyrrolidine-1-carboximidamide

C19H29FN4O — CID 111993717

IUPACN-[2-(4-fluorophenoxy)propyl]-N'-methyl-3-pyrrolidin-1-ylpyrrolidine-1-carboximidamide
SMILESC/N=C(\NCC(C)Oc1ccc(F)cc1)N1CCC(N2CCCC2)C1
InChIInChI=1S/C19H29FN4O/c1-15(25-18-7-5-16(20)6-8-18)13-22-19(21-2)24-12-9-17(14-24)23-10-3-4-11-23/h5-8,15,17H,3-4,9-14H2,1-2H3,(H,21,22)
InChIKeyXRDGPNHRAPPPTL-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.34
Rot. Bonds5

About N-[2-(4-fluorophenoxy)propyl]-N'-methyl-3-pyrrolidin-1-ylpyrrolidine-1-carboximidamide

N-[2-(4-fluorophenoxy)propyl]-N'-methyl-3-pyrrolidin-1-ylpyrrolidine-1-carboximidamide (PubChem CID 111993717) has the molecular formula C19H29FN4O and a molecular weight of 348.47 g/mol. Its IUPAC name is N-[2-(4-fluorophenoxy)propyl]-N'-methyl-3-pyrrolidin-1-ylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenoxy)propyl]-N'-methyl-3-pyrrolidin-1-ylpyrrolidine-1-carboximidamide
PubChem CID111993717
Molecular FormulaC19H29FN4O
Molecular Weight348.47 g/mol
Exact Mass348.23
IUPAC NameN-[2-(4-fluorophenoxy)propyl]-N'-methyl-3-pyrrolidin-1-ylpyrrolidine-1-carboximidamide
SMILESC/N=C(\NCC(C)Oc1ccc(F)cc1)N1CCC(N2CCCC2)C1
InChIInChI=1S/C19H29FN4O/c1-15(25-18-7-5-16(20)6-8-18)13-22-19(21-2)24-12-9-17(14-24)23-10-3-4-11-23/h5-8,15,17H,3-4,9-14H2,1-2H3,(H,21,22)
InChIKeyXRDGPNHRAPPPTL-UHFFFAOYSA-N
XLogP2.34
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[2-(4-fluorophenoxy)propyl]-N'-methyl-3-pyrrolidin-1-ylpyrrolidine-1-carboximidamide 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

ethyl 1-[N-[2-(4-fluorophenoxy)propyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111497325
ethyl 1-[N-[2-(4-fluorophenoxy)propyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111497324
(3R)-N-[(2R)-2-(2-fluorophenoxy)propyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 95968686
(3S)-N-[(2R)-2-(2-fluorophenoxy)propyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 95968684
1-(1-cyclopentylpyrrolidin-3-yl)-3-[2-(4-fluorophenoxy)propyl]-2-methylguanidine
CID 111994279
2-[4-[N-[2-(4-fluorophenoxy)propyl]-N'-methylcarbamimidoyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 111497789
N-[2-(2-fluorophenoxy)propyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111502101
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-N'-methyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 119143185
N-[2-(4-fluorophenyl)ethyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111726696
1-[2-(4-fluorophenoxy)propyl]-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 111678582
1-[2-(4-fluorophenoxy)propyl]-2-methyl-3-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 111678697
N-[2-(3-methoxyphenoxy)propyl]-N',3-dimethylpiperidine-1-carboximidamide
CID 111501931

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenoxy)propyl]-N'-methyl-3-pyrrolidin-1-ylpyrrolidine-1-carboximidamide?
The IUPAC name of N-[2-(4-fluorophenoxy)propyl]-N'-methyl-3-pyrrolidin-1-ylpyrrolidine-1-carboximidamide (CID 111993717) is N-[2-(4-fluorophenoxy)propyl]-N'-methyl-3-pyrrolidin-1-ylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-[2-(4-fluorophenoxy)propyl]-N'-methyl-3-pyrrolidin-1-ylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-[2-(4-fluorophenoxy)propyl]-N'-methyl-3-pyrrolidin-1-ylpyrrolidine-1-carboximidamide is C/N=C(\NCC(C)Oc1ccc(F)cc1)N1CCC(N2CCCC2)C1.
What is the InChIKey of N-[2-(4-fluorophenoxy)propyl]-N'-methyl-3-pyrrolidin-1-ylpyrrolidine-1-carboximidamide?
The InChIKey is XRDGPNHRAPPPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN4O/c1-15(25-18-7-5-16(20)6-8-18)13-22-19(21-2)24-12-9-17(14-24)23-10-3-4-11-23/h5-8,15,17H,3-4,9-14H2,1-2H3,(H,21,22).
What are the key properties of N-[2-(4-fluorophenoxy)propyl]-N'-methyl-3-pyrrolidin-1-ylpyrrolidine-1-carboximidamide?
N-[2-(4-fluorophenoxy)propyl]-N'-methyl-3-pyrrolidin-1-ylpyrrolidine-1-carboximidamide has a molecular weight of 348.47 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenoxy)propyl]-N'-methyl-3-pyrrolidin-1-ylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 111993717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).