2-[2-(aminomethyl)pyrrolidin-1-yl]-4,6-diiodophenol

C11H14I2N2O — CID 70565783

IUPAC2-[2-(aminomethyl)pyrrolidin-1-yl]-4,6-diiodophenol
SMILESNCC1CCCN1c1cc(I)cc(I)c1O
InChIInChI=1S/C11H14I2N2O/c12-7-4-9(13)11(16)10(5-7)15-3-1-2-8(15)6-14/h4-5,8,16H,1-3,6,14H2
InChIKeyFMVNUXFUSLYYKP-UHFFFAOYSA-N
MW444.05 g/mol
LogP2.53
Rot. Bonds2

About 2-[2-(aminomethyl)pyrrolidin-1-yl]-4,6-diiodophenol

2-[2-(aminomethyl)pyrrolidin-1-yl]-4,6-diiodophenol (PubChem CID 70565783) has the molecular formula C11H14I2N2O and a molecular weight of 444.05 g/mol. Its IUPAC name is 2-[2-(aminomethyl)pyrrolidin-1-yl]-4,6-diiodophenol.

Molecular Properties

Compound Name2-[2-(aminomethyl)pyrrolidin-1-yl]-4,6-diiodophenol
PubChem CID70565783
Molecular FormulaC11H14I2N2O
Molecular Weight444.05 g/mol
Exact Mass443.92
IUPAC Name2-[2-(aminomethyl)pyrrolidin-1-yl]-4,6-diiodophenol
SMILESNCC1CCCN1c1cc(I)cc(I)c1O
InChIInChI=1S/C11H14I2N2O/c12-7-4-9(13)11(16)10(5-7)15-3-1-2-8(15)6-14/h4-5,8,16H,1-3,6,14H2
InChIKeyFMVNUXFUSLYYKP-UHFFFAOYSA-N
XLogP2.53
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.05
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-(aminomethyl)pyrrolidin-1-yl]-4,6-diiodophenol 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

2-[2-(aminomethyl)pyrrolidin-1-yl]-4,6-dibromophenol
CID 70566730
2-[2-(aminomethyl)pyrrolidin-1-yl]-4,6-ditert-butylphenol
CID 88546796
[(2S)-1-(2-fluorophenyl)pyrrolidin-2-yl]methanamine
CID 130691324
[1-(4-amino-2-iodophenyl)pyrrolidin-2-yl]methanol
CID 66093339
2-[2-(aminomethyl)pyrrolidin-1-yl]-4-chlorobenzamide
CID 113284607
[1-(2-amino-5-fluoro-4-iodophenyl)pyrrolidin-2-yl]methanol
CID 66101661
[1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanamine
CID 62592985
[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 16643268
(2-hydroxy-3,5-diiodophenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 63402925
4-(2-ethylpyrrolidin-1-yl)-3-iodoaniline
CID 66094979
[1-(4-fluoro-5-methyl-2-nitrophenyl)pyrrolidin-2-yl]methanamine
CID 103594248
[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine;hydrochloride
CID 71638307

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)pyrrolidin-1-yl]-4,6-diiodophenol?
The IUPAC name of 2-[2-(aminomethyl)pyrrolidin-1-yl]-4,6-diiodophenol (CID 70565783) is 2-[2-(aminomethyl)pyrrolidin-1-yl]-4,6-diiodophenol.
What is the SMILES notation for 2-[2-(aminomethyl)pyrrolidin-1-yl]-4,6-diiodophenol?
The canonical SMILES for 2-[2-(aminomethyl)pyrrolidin-1-yl]-4,6-diiodophenol is NCC1CCCN1c1cc(I)cc(I)c1O.
What is the InChIKey of 2-[2-(aminomethyl)pyrrolidin-1-yl]-4,6-diiodophenol?
The InChIKey is FMVNUXFUSLYYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14I2N2O/c12-7-4-9(13)11(16)10(5-7)15-3-1-2-8(15)6-14/h4-5,8,16H,1-3,6,14H2.
What are the key properties of 2-[2-(aminomethyl)pyrrolidin-1-yl]-4,6-diiodophenol?
2-[2-(aminomethyl)pyrrolidin-1-yl]-4,6-diiodophenol has a molecular weight of 444.05 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)pyrrolidin-1-yl]-4,6-diiodophenol is sourced from PubChem (CID 70565783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).