1-(2-chloro-4-iodophenyl)-2-methylazetidine

C10H11ClIN — CID 107606939

IUPAC1-(2-chloro-4-iodophenyl)-2-methylazetidine
SMILESCC1CCN1c1ccc(I)cc1Cl
InChIInChI=1S/C10H11ClIN/c1-7-4-5-13(7)10-3-2-8(12)6-9(10)11/h2-3,6-7H,4-5H2,1H3
InChIKeyRHSPZTAGYCXFSJ-UHFFFAOYSA-N
MW307.56 g/mol
LogP3.54
Rot. Bonds1

About 1-(2-chloro-4-iodophenyl)-2-methylazetidine

1-(2-chloro-4-iodophenyl)-2-methylazetidine (PubChem CID 107606939) has the molecular formula C10H11ClIN and a molecular weight of 307.56 g/mol. Its IUPAC name is 1-(2-chloro-4-iodophenyl)-2-methylazetidine.

Molecular Properties

Compound Name1-(2-chloro-4-iodophenyl)-2-methylazetidine
PubChem CID107606939
Molecular FormulaC10H11ClIN
Molecular Weight307.56 g/mol
Exact Mass306.96
IUPAC Name1-(2-chloro-4-iodophenyl)-2-methylazetidine
SMILESCC1CCN1c1ccc(I)cc1Cl
InChIInChI=1S/C10H11ClIN/c1-7-4-5-13(7)10-3-2-8(12)6-9(10)11/h2-3,6-7H,4-5H2,1H3
InChIKeyRHSPZTAGYCXFSJ-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.56
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-[(2S)-2-methylpiperidin-1-yl]aniline
CID 40787638
(2R)-1-(4-bromo-2-chlorophenyl)-2-methylpiperidine
CID 97103063
3-chloro-N-methyl-4-(2-methylpiperidin-1-yl)aniline
CID 91677014
1-(2-chloro-4-iodophenyl)-2,5-dihydropyrrole
CID 107606932
1-[2-chloro-4-(chloromethyl)phenyl]-2-methylazepane
CID 81150934
1-[3-chloro-4-(2-methylpyrrolidin-1-yl)phenyl]ethanamine
CID 62909542
3-chloro-4-(2-methylpyrrolidin-1-yl)benzenecarbothioamide
CID 63086947
(1S)-1-[3-chloro-4-(2-methylpiperidin-1-yl)phenyl]ethanamine
CID 55190288
(2R)-1-(2-chloro-4-methylphenyl)-2-methylpiperazine
CID 96808511
1-(2-chloro-4-iodophenyl)-3-methyl-1,4-diazepane-2,5-dione
CID 107604189
1-(2-chloro-4-iodophenyl)-3,3-dimethylpiperazine
CID 107604020
N-[[3-chloro-4-(2-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 81152195

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-iodophenyl)-2-methylazetidine?
The IUPAC name of 1-(2-chloro-4-iodophenyl)-2-methylazetidine (CID 107606939) is 1-(2-chloro-4-iodophenyl)-2-methylazetidine.
What is the SMILES notation for 1-(2-chloro-4-iodophenyl)-2-methylazetidine?
The canonical SMILES for 1-(2-chloro-4-iodophenyl)-2-methylazetidine is CC1CCN1c1ccc(I)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-iodophenyl)-2-methylazetidine?
The InChIKey is RHSPZTAGYCXFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClIN/c1-7-4-5-13(7)10-3-2-8(12)6-9(10)11/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 1-(2-chloro-4-iodophenyl)-2-methylazetidine?
1-(2-chloro-4-iodophenyl)-2-methylazetidine has a molecular weight of 307.56 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-iodophenyl)-2-methylazetidine is sourced from PubChem (CID 107606939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).