3-iodo-2,2-dimethyl-1-phenylpropan-1-imine

C11H14IN — CID 155055549

IUPAC3-iodo-2,2-dimethyl-1-phenylpropan-1-imine
SMILES[H]/N=C(\c1ccccc1)C(C)(C)CI
InChIInChI=1S/C11H14IN/c1-11(2,8-12)10(13)9-6-4-3-5-7-9/h3-7,13H,8H2,1-2H3/b13-10+
InChIKeyHLMQHRIUJIGIEZ-JLHYYAGUSA-N
MW287.14 g/mol
LogP3.52
Rot. Bonds3

About 3-iodo-2,2-dimethyl-1-phenylpropan-1-imine

3-iodo-2,2-dimethyl-1-phenylpropan-1-imine (PubChem CID 155055549) has the molecular formula C11H14IN and a molecular weight of 287.14 g/mol. Its IUPAC name is 3-iodo-2,2-dimethyl-1-phenylpropan-1-imine.

Molecular Properties

Compound Name3-iodo-2,2-dimethyl-1-phenylpropan-1-imine
PubChem CID155055549
Molecular FormulaC11H14IN
Molecular Weight287.14 g/mol
Exact Mass287.02
IUPAC Name3-iodo-2,2-dimethyl-1-phenylpropan-1-imine
SMILES[H]/N=C(\c1ccccc1)C(C)(C)CI
InChIInChI=1S/C11H14IN/c1-11(2,8-12)10(13)9-6-4-3-5-7-9/h3-7,13H,8H2,1-2H3/b13-10+
InChIKeyHLMQHRIUJIGIEZ-JLHYYAGUSA-N
XLogP3.52
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.14
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-iodo-2,2-dimethyl-1-phenylpropan-1-imine?
The IUPAC name of 3-iodo-2,2-dimethyl-1-phenylpropan-1-imine (CID 155055549) is 3-iodo-2,2-dimethyl-1-phenylpropan-1-imine.
What is the SMILES notation for 3-iodo-2,2-dimethyl-1-phenylpropan-1-imine?
The canonical SMILES for 3-iodo-2,2-dimethyl-1-phenylpropan-1-imine is [H]/N=C(\c1ccccc1)C(C)(C)CI.
What is the InChIKey of 3-iodo-2,2-dimethyl-1-phenylpropan-1-imine?
The InChIKey is HLMQHRIUJIGIEZ-JLHYYAGUSA-N. The full InChI is InChI=1S/C11H14IN/c1-11(2,8-12)10(13)9-6-4-3-5-7-9/h3-7,13H,8H2,1-2H3/b13-10+.
What are the key properties of 3-iodo-2,2-dimethyl-1-phenylpropan-1-imine?
3-iodo-2,2-dimethyl-1-phenylpropan-1-imine has a molecular weight of 287.14 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-2,2-dimethyl-1-phenylpropan-1-imine is sourced from PubChem (CID 155055549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).