1-(2-ethoxy-5-iodophenyl)pyrrolidine

C12H16INO — CID 168515191

IUPAC1-(2-ethoxy-5-iodophenyl)pyrrolidine
SMILESCCOc1ccc(I)cc1N1CCCC1
InChIInChI=1S/C12H16INO/c1-2-15-12-6-5-10(13)9-11(12)14-7-3-4-8-14/h5-6,9H,2-4,7-8H2,1H3
InChIKeyIMAWILCKSMOTJX-UHFFFAOYSA-N
MW317.17 g/mol
LogP3.29
Rot. Bonds3

About 1-(2-ethoxy-5-iodophenyl)pyrrolidine

1-(2-ethoxy-5-iodophenyl)pyrrolidine (PubChem CID 168515191) has the molecular formula C12H16INO and a molecular weight of 317.17 g/mol. Its IUPAC name is 1-(2-ethoxy-5-iodophenyl)pyrrolidine.

Molecular Properties

Compound Name1-(2-ethoxy-5-iodophenyl)pyrrolidine
PubChem CID168515191
Molecular FormulaC12H16INO
Molecular Weight317.17 g/mol
Exact Mass317.03
IUPAC Name1-(2-ethoxy-5-iodophenyl)pyrrolidine
SMILESCCOc1ccc(I)cc1N1CCCC1
InChIInChI=1S/C12H16INO/c1-2-15-12-6-5-10(13)9-11(12)14-7-3-4-8-14/h5-6,9H,2-4,7-8H2,1H3
InChIKeyIMAWILCKSMOTJX-UHFFFAOYSA-N
XLogP3.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.17
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-ethoxy-5-iodophenyl)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-ethoxy-2-fluoro-4-iodobenzene
CID 50998221
1-(2,5-diethoxyphenyl)piperidin-4-one
CID 24711374
1-(2-ethoxy-5-methylphenyl)piperidin-4-amine
CID 55063114
N-[(2-ethoxy-5-iodophenyl)methyl]propan-2-amine
CID 2988040
1-(2,5-diethoxyphenyl)-3-methyl-1,4-diazepane
CID 64943477
5-chloro-2-ethoxy-4-pyrrolidin-1-ylbenzoic acid
CID 168515788
1-(2,6-diethoxyphenyl)piperidine
CID 12585905
N-ethoxy-4-methoxy-3-piperidin-1-ylaniline;hydrochloride
CID 87953604
2,5-diethoxy-4-pyrrolidin-1-ylbenzenediazonium tetrafluoroborate
CID 21118152
N-(2,6-dipyrrolidin-1-ylphenyl)-4-ethoxy-3-methylbenzamide
CID 86938278
methyl 4,5-diethoxy-2-pyrrolidin-1-ylbenzoate
CID 168515148
3-ethoxy-4-methoxy-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 30493384

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-5-iodophenyl)pyrrolidine?
The IUPAC name of 1-(2-ethoxy-5-iodophenyl)pyrrolidine (CID 168515191) is 1-(2-ethoxy-5-iodophenyl)pyrrolidine.
What is the SMILES notation for 1-(2-ethoxy-5-iodophenyl)pyrrolidine?
The canonical SMILES for 1-(2-ethoxy-5-iodophenyl)pyrrolidine is CCOc1ccc(I)cc1N1CCCC1.
What is the InChIKey of 1-(2-ethoxy-5-iodophenyl)pyrrolidine?
The InChIKey is IMAWILCKSMOTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16INO/c1-2-15-12-6-5-10(13)9-11(12)14-7-3-4-8-14/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of 1-(2-ethoxy-5-iodophenyl)pyrrolidine?
1-(2-ethoxy-5-iodophenyl)pyrrolidine has a molecular weight of 317.17 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-5-iodophenyl)pyrrolidine is sourced from PubChem (CID 168515191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).