2-(chloromethyl)-1-[(4-iodophenyl)methyl]pyrrolidine

C12H15ClIN — CID 65489547

IUPAC2-(chloromethyl)-1-[(4-iodophenyl)methyl]pyrrolidine
SMILESClCC1CCCN1Cc1ccc(I)cc1
InChIInChI=1S/C12H15ClIN/c13-8-12-2-1-7-15(12)9-10-3-5-11(14)6-4-10/h3-6,12H,1-2,7-9H2
InChIKeyFALZRAYNLQWMKS-UHFFFAOYSA-N
MW335.62 g/mol
LogP3.49
Rot. Bonds3

About 2-(chloromethyl)-1-[(4-iodophenyl)methyl]pyrrolidine

2-(chloromethyl)-1-[(4-iodophenyl)methyl]pyrrolidine (PubChem CID 65489547) has the molecular formula C12H15ClIN and a molecular weight of 335.62 g/mol. Its IUPAC name is 2-(chloromethyl)-1-[(4-iodophenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-(chloromethyl)-1-[(4-iodophenyl)methyl]pyrrolidine
PubChem CID65489547
Molecular FormulaC12H15ClIN
Molecular Weight335.62 g/mol
Exact Mass334.99
IUPAC Name2-(chloromethyl)-1-[(4-iodophenyl)methyl]pyrrolidine
SMILESClCC1CCCN1Cc1ccc(I)cc1
InChIInChI=1S/C12H15ClIN/c13-8-12-2-1-7-15(12)9-10-3-5-11(14)6-4-10/h3-6,12H,1-2,7-9H2
InChIKeyFALZRAYNLQWMKS-UHFFFAOYSA-N
XLogP3.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.62
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-1-[(4-iodophenyl)methyl]pyrrolidin-2-yl]methanamine
CID 90478034
2-(chloromethyl)-1-[(4-chlorophenyl)methyl]piperidine
CID 63386616
1-[(4-bromophenyl)methyl]-2-(chloromethyl)piperidine
CID 63386874
2-(3-bromopropyl)-1-[(4-iodophenyl)methyl]pyrrolidine
CID 80690776
2-(chloromethyl)-1-(thiophen-3-ylmethyl)pyrrolidine
CID 63387601
4-[[2-(chloromethyl)piperidin-1-yl]methyl]pyridine
CID 63386661
2-(chloromethyl)-1-[(4-propan-2-ylphenyl)methyl]piperidine
CID 55182780
1-[(3-bromophenyl)methyl]-2-(chloromethyl)pyrrolidine
CID 63388042
1-[(3-chloro-4-fluorophenyl)methyl]-2-(chloromethyl)piperidine
CID 103041314
1-[(4-iodophenyl)methyl]-2-methylpiperidine
CID 65477935
2-(chloromethyl)-1-[(3,4-dimethoxyphenyl)methyl]azepane
CID 116638601
1-[(3-bromo-4-fluorophenyl)methyl]-2-(chloromethyl)azepane
CID 116638678

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-[(4-iodophenyl)methyl]pyrrolidine?
The IUPAC name of 2-(chloromethyl)-1-[(4-iodophenyl)methyl]pyrrolidine (CID 65489547) is 2-(chloromethyl)-1-[(4-iodophenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-(chloromethyl)-1-[(4-iodophenyl)methyl]pyrrolidine?
The canonical SMILES for 2-(chloromethyl)-1-[(4-iodophenyl)methyl]pyrrolidine is ClCC1CCCN1Cc1ccc(I)cc1.
What is the InChIKey of 2-(chloromethyl)-1-[(4-iodophenyl)methyl]pyrrolidine?
The InChIKey is FALZRAYNLQWMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClIN/c13-8-12-2-1-7-15(12)9-10-3-5-11(14)6-4-10/h3-6,12H,1-2,7-9H2.
What are the key properties of 2-(chloromethyl)-1-[(4-iodophenyl)methyl]pyrrolidine?
2-(chloromethyl)-1-[(4-iodophenyl)methyl]pyrrolidine has a molecular weight of 335.62 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-[(4-iodophenyl)methyl]pyrrolidine is sourced from PubChem (CID 65489547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).