3-[(4-iodophenyl)methoxymethyl]pyrrolidine

C12H16INO — CID 56830526

IUPAC3-[(4-iodophenyl)methoxymethyl]pyrrolidine
SMILESIc1ccc(COCC2CCNC2)cc1
InChIInChI=1S/C12H16INO/c13-12-3-1-10(2-4-12)8-15-9-11-5-6-14-7-11/h1-4,11,14H,5-9H2
InChIKeyFRDZEUKJVXEXBD-UHFFFAOYSA-N
MW317.17 g/mol
LogP2.42
Rot. Bonds4

About 3-[(4-iodophenyl)methoxymethyl]pyrrolidine

3-[(4-iodophenyl)methoxymethyl]pyrrolidine (PubChem CID 56830526) has the molecular formula C12H16INO and a molecular weight of 317.17 g/mol. Its IUPAC name is 3-[(4-iodophenyl)methoxymethyl]pyrrolidine.

Molecular Properties

Compound Name3-[(4-iodophenyl)methoxymethyl]pyrrolidine
PubChem CID56830526
Molecular FormulaC12H16INO
Molecular Weight317.17 g/mol
Exact Mass317.03
IUPAC Name3-[(4-iodophenyl)methoxymethyl]pyrrolidine
SMILESIc1ccc(COCC2CCNC2)cc1
InChIInChI=1S/C12H16INO/c13-12-3-1-10(2-4-12)8-15-9-11-5-6-14-7-11/h1-4,11,14H,5-9H2
InChIKeyFRDZEUKJVXEXBD-UHFFFAOYSA-N
XLogP2.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.17
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[(4-iodophenyl)methoxymethyl]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

(3R)-3-(phenylmethoxymethyl)pyrrolidine
CID 26192483
(3R)-3-[(4-methoxyphenyl)methoxymethyl]pyrrolidine
CID 86321821
(3S)-3-[(4-propan-2-ylphenyl)methoxymethyl]pyrrolidine
CID 86325447
1-(cyclopropylmethoxymethyl)-4-iodobenzene;hydroiodide
CID 68767831
4-(pyrrolidin-3-ylmethoxymethyl)benzamide
CID 55064845
4-[(4-ethylphenyl)methoxymethyl]piperidine
CID 55060614
methyl 4-[[(3R)-pyrrolidin-3-yl]methoxymethyl]benzoate
CID 86321712
(3R)-3-[(4-methylphenyl)methoxymethyl]piperidine
CID 26190607
(3R)-3-[(4-bromophenyl)methoxymethyl]piperidine
CID 35754092
(3S)-3-[2-[(4-iodophenyl)methoxy]ethyl]piperidine
CID 86321735
(3S)-3-[(3-bromophenyl)methoxymethyl]pyrrolidine
CID 86321723
4-[[(3S)-piperidin-3-yl]methoxymethyl]pyridine
CID 94403087

Frequently Asked Questions

What is the IUPAC name of 3-[(4-iodophenyl)methoxymethyl]pyrrolidine?
The IUPAC name of 3-[(4-iodophenyl)methoxymethyl]pyrrolidine (CID 56830526) is 3-[(4-iodophenyl)methoxymethyl]pyrrolidine.
What is the SMILES notation for 3-[(4-iodophenyl)methoxymethyl]pyrrolidine?
The canonical SMILES for 3-[(4-iodophenyl)methoxymethyl]pyrrolidine is Ic1ccc(COCC2CCNC2)cc1.
What is the InChIKey of 3-[(4-iodophenyl)methoxymethyl]pyrrolidine?
The InChIKey is FRDZEUKJVXEXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16INO/c13-12-3-1-10(2-4-12)8-15-9-11-5-6-14-7-11/h1-4,11,14H,5-9H2.
What are the key properties of 3-[(4-iodophenyl)methoxymethyl]pyrrolidine?
3-[(4-iodophenyl)methoxymethyl]pyrrolidine has a molecular weight of 317.17 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-iodophenyl)methoxymethyl]pyrrolidine is sourced from PubChem (CID 56830526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).