3-iodo-1-methyl-2,2-diphenylazetidine

C16H16IN — CID 174574299

IUPAC3-iodo-1-methyl-2,2-diphenylazetidine
SMILESCN1CC(I)C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16IN/c1-18-12-15(17)16(18,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15H,12H2,1H3
InChIKeyKXCNLUBRYRGNGY-UHFFFAOYSA-N
MW349.22 g/mol
LogP3.68
Rot. Bonds2

About 3-iodo-1-methyl-2,2-diphenylazetidine

3-iodo-1-methyl-2,2-diphenylazetidine (PubChem CID 174574299) has the molecular formula C16H16IN and a molecular weight of 349.22 g/mol. Its IUPAC name is 3-iodo-1-methyl-2,2-diphenylazetidine.

Molecular Properties

Compound Name3-iodo-1-methyl-2,2-diphenylazetidine
PubChem CID174574299
Molecular FormulaC16H16IN
Molecular Weight349.22 g/mol
Exact Mass349.03
IUPAC Name3-iodo-1-methyl-2,2-diphenylazetidine
SMILESCN1CC(I)C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16IN/c1-18-12-15(17)16(18,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15H,12H2,1H3
InChIKeyKXCNLUBRYRGNGY-UHFFFAOYSA-N
XLogP3.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 53.68
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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Frequently Asked Questions

What is the IUPAC name of 3-iodo-1-methyl-2,2-diphenylazetidine?
The IUPAC name of 3-iodo-1-methyl-2,2-diphenylazetidine (CID 174574299) is 3-iodo-1-methyl-2,2-diphenylazetidine.
What is the SMILES notation for 3-iodo-1-methyl-2,2-diphenylazetidine?
The canonical SMILES for 3-iodo-1-methyl-2,2-diphenylazetidine is CN1CC(I)C1(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-iodo-1-methyl-2,2-diphenylazetidine?
The InChIKey is KXCNLUBRYRGNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16IN/c1-18-12-15(17)16(18,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15H,12H2,1H3.
What are the key properties of 3-iodo-1-methyl-2,2-diphenylazetidine?
3-iodo-1-methyl-2,2-diphenylazetidine has a molecular weight of 349.22 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-1-methyl-2,2-diphenylazetidine is sourced from PubChem (CID 174574299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).