1-[4-(4-iodophenoxy)butyl]pyrrolidine

C14H20INO — CID 2232625

IUPAC1-[4-(4-iodophenoxy)butyl]pyrrolidine
SMILESIc1ccc(OCCCCN2CCCC2)cc1
InChIInChI=1S/C14H20INO/c15-13-5-7-14(8-6-13)17-12-4-3-11-16-9-1-2-10-16/h5-8H,1-4,9-12H2
InChIKeyYNKBXBKGVGDJHR-UHFFFAOYSA-N
MW345.22 g/mol
LogP3.55
Rot. Bonds6

About 1-[4-(4-iodophenoxy)butyl]pyrrolidine

1-[4-(4-iodophenoxy)butyl]pyrrolidine (PubChem CID 2232625) has the molecular formula C14H20INO and a molecular weight of 345.22 g/mol. Its IUPAC name is 1-[4-(4-iodophenoxy)butyl]pyrrolidine.

Molecular Properties

Compound Name1-[4-(4-iodophenoxy)butyl]pyrrolidine
PubChem CID2232625
Molecular FormulaC14H20INO
Molecular Weight345.22 g/mol
Exact Mass345.06
IUPAC Name1-[4-(4-iodophenoxy)butyl]pyrrolidine
SMILESIc1ccc(OCCCCN2CCCC2)cc1
InChIInChI=1S/C14H20INO/c15-13-5-7-14(8-6-13)17-12-4-3-11-16-9-1-2-10-16/h5-8H,1-4,9-12H2
InChIKeyYNKBXBKGVGDJHR-UHFFFAOYSA-N
XLogP3.55
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.22
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-[4-(4-iodophenoxy)butyl]pyrrolidine 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

1-[5-(4-chlorophenoxy)pentyl]azepane
CID 127038670
4-[3-(4-iodophenoxy)propyl]thiomorpholine
CID 129115433
1-[10-(4-chlorophenoxy)decyl]piperidine
CID 70510591
1-[8-[4-(piperidin-1-ylmethyl)phenoxy]octyl]piperidine
CID 46929919
1-[6-(4-tert-butylphenoxy)hexyl]pyrrolidine
CID 2232435
1-[5-(4-phenylphenoxy)pentyl]pyrrolidine
CID 11857856
1-[9-[4-[(E)-1-(4-iodophenyl)-2-phenylbut-1-enyl]phenoxy]nonyl]pyrrolidine
CID 10699116
1-[6-(4-phenylphenoxy)hexyl]piperidine
CID 155533744
1-[4-(3,4-dimethylphenoxy)butyl]azepane
CID 2194954
1-[2-(4-iodophenoxy)ethyl]-4-methylpiperazine
CID 15616300
1-[3-[4-[(Z)-1-(4-iodophenyl)-2-phenylbut-1-enyl]phenoxy]propyl]pyrrolidine
CID 67686022
1-[4-(5-pyrrolidin-1-ylpentoxy)phenyl]ethanol
CID 11857382

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-iodophenoxy)butyl]pyrrolidine?
The IUPAC name of 1-[4-(4-iodophenoxy)butyl]pyrrolidine (CID 2232625) is 1-[4-(4-iodophenoxy)butyl]pyrrolidine.
What is the SMILES notation for 1-[4-(4-iodophenoxy)butyl]pyrrolidine?
The canonical SMILES for 1-[4-(4-iodophenoxy)butyl]pyrrolidine is Ic1ccc(OCCCCN2CCCC2)cc1.
What is the InChIKey of 1-[4-(4-iodophenoxy)butyl]pyrrolidine?
The InChIKey is YNKBXBKGVGDJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20INO/c15-13-5-7-14(8-6-13)17-12-4-3-11-16-9-1-2-10-16/h5-8H,1-4,9-12H2.
What are the key properties of 1-[4-(4-iodophenoxy)butyl]pyrrolidine?
1-[4-(4-iodophenoxy)butyl]pyrrolidine has a molecular weight of 345.22 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-iodophenoxy)butyl]pyrrolidine is sourced from PubChem (CID 2232625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).