[3-(aminomethyl)pyrrolidin-1-yl]-(2-fluoro-6-iodophenyl)methanone;hydrochloride

C12H15ClFIN2O — CID 119487395

IUPAC[3-(aminomethyl)pyrrolidin-1-yl]-(2-fluoro-6-iodophenyl)methanone;hydrochloride
SMILESCl.NCC1CCN(C(=O)c2c(F)cccc2I)C1
InChIInChI=1S/C12H14FIN2O.ClH/c13-9-2-1-3-10(14)11(9)12(17)16-5-4-8(6-15)7-16;/h1-3,8H,4-7,15H2;1H
InChIKeyIWCGFMCRIKXGHY-UHFFFAOYSA-N
MW384.62 g/mol
LogP2.27
Rot. Bonds2

About [3-(aminomethyl)pyrrolidin-1-yl]-(2-fluoro-6-iodophenyl)methanone;hydrochloride

[3-(aminomethyl)pyrrolidin-1-yl]-(2-fluoro-6-iodophenyl)methanone;hydrochloride (PubChem CID 119487395) has the molecular formula C12H15ClFIN2O and a molecular weight of 384.62 g/mol. Its IUPAC name is [3-(aminomethyl)pyrrolidin-1-yl]-(2-fluoro-6-iodophenyl)methanone;hydrochloride.

Molecular Properties

Compound Name[3-(aminomethyl)pyrrolidin-1-yl]-(2-fluoro-6-iodophenyl)methanone;hydrochloride
PubChem CID119487395
Molecular FormulaC12H15ClFIN2O
Molecular Weight384.62 g/mol
Exact Mass383.99
IUPAC Name[3-(aminomethyl)pyrrolidin-1-yl]-(2-fluoro-6-iodophenyl)methanone;hydrochloride
SMILESCl.NCC1CCN(C(=O)c2c(F)cccc2I)C1
InChIInChI=1S/C12H14FIN2O.ClH/c13-9-2-1-3-10(14)11(9)12(17)16-5-4-8(6-15)7-16;/h1-3,8H,4-7,15H2;1H
InChIKeyIWCGFMCRIKXGHY-UHFFFAOYSA-N
XLogP2.27
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.62
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [3-(aminomethyl)pyrrolidin-1-yl]-(2-fluoro-6-iodophenyl)methanone;hydrochloride 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

[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(2-bromo-6-fluorophenyl)methanone
CID 124569711
[(3R)-3-aminopyrrolidin-1-yl]-(2,6-difluorophenyl)methanone;hydrochloride
CID 119409169
[3-(aminomethyl)piperidin-1-yl]-(2-chloro-6-fluorophenyl)methanone;hydrochloride
CID 119465104
1-(2-fluoro-6-iodobenzoyl)piperidine-4-carboxylic acid
CID 119349235
(2-fluoro-6-iodophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119494037
[3-(aminomethyl)pyrrolidin-1-yl]-(2,5-difluorophenyl)methanone;hydrochloride
CID 119484302
[3-(aminomethyl)pyrrolidin-1-yl]-(4-iodophenyl)methanone
CID 62062850
[(3R)-3-aminopiperidin-1-yl]-(2,6-difluorophenyl)methanone
CID 102978457
[3-(bromomethyl)pyrrolidin-1-yl]-(2-chloro-6-fluorophenyl)methanone
CID 80667434
[3-(aminomethyl)pyrrolidin-1-yl]-(3-chloro-2-fluorophenyl)methanone
CID 81264813
[(3S)-3-aminopyrrolidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone;hydrochloride
CID 119934296
(3-aminopyrrolidin-1-yl)-(2-fluoro-6-methoxyphenyl)methanone;hydrochloride
CID 119482707

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-(2-fluoro-6-iodophenyl)methanone;hydrochloride?
The IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-(2-fluoro-6-iodophenyl)methanone;hydrochloride (CID 119487395) is [3-(aminomethyl)pyrrolidin-1-yl]-(2-fluoro-6-iodophenyl)methanone;hydrochloride.
What is the SMILES notation for [3-(aminomethyl)pyrrolidin-1-yl]-(2-fluoro-6-iodophenyl)methanone;hydrochloride?
The canonical SMILES for [3-(aminomethyl)pyrrolidin-1-yl]-(2-fluoro-6-iodophenyl)methanone;hydrochloride is Cl.NCC1CCN(C(=O)c2c(F)cccc2I)C1.
What is the InChIKey of [3-(aminomethyl)pyrrolidin-1-yl]-(2-fluoro-6-iodophenyl)methanone;hydrochloride?
The InChIKey is IWCGFMCRIKXGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FIN2O.ClH/c13-9-2-1-3-10(14)11(9)12(17)16-5-4-8(6-15)7-16;/h1-3,8H,4-7,15H2;1H.
What are the key properties of [3-(aminomethyl)pyrrolidin-1-yl]-(2-fluoro-6-iodophenyl)methanone;hydrochloride?
[3-(aminomethyl)pyrrolidin-1-yl]-(2-fluoro-6-iodophenyl)methanone;hydrochloride has a molecular weight of 384.62 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)pyrrolidin-1-yl]-(2-fluoro-6-iodophenyl)methanone;hydrochloride is sourced from PubChem (CID 119487395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).