1-(2-iodophenyl)-2-methylprop-2-en-1-amine

C10H12IN — CID 105005479

IUPAC1-(2-iodophenyl)-2-methylprop-2-en-1-amine
SMILESC=C(C)C(N)c1ccccc1I
InChIInChI=1S/C10H12IN/c1-7(2)10(12)8-5-3-4-6-9(8)11/h3-6,10H,1,12H2,2H3
InChIKeyYLXTUKNLAAQWNV-UHFFFAOYSA-N
MW273.12 g/mol
LogP2.87
Rot. Bonds2

About 1-(2-iodophenyl)-2-methylprop-2-en-1-amine

1-(2-iodophenyl)-2-methylprop-2-en-1-amine (PubChem CID 105005479) has the molecular formula C10H12IN and a molecular weight of 273.12 g/mol. Its IUPAC name is 1-(2-iodophenyl)-2-methylprop-2-en-1-amine.

Molecular Properties

Compound Name1-(2-iodophenyl)-2-methylprop-2-en-1-amine
PubChem CID105005479
Molecular FormulaC10H12IN
Molecular Weight273.12 g/mol
Exact Mass273.00
IUPAC Name1-(2-iodophenyl)-2-methylprop-2-en-1-amine
SMILESC=C(C)C(N)c1ccccc1I
InChIInChI=1S/C10H12IN/c1-7(2)10(12)8-5-3-4-6-9(8)11/h3-6,10H,1,12H2,2H3
InChIKeyYLXTUKNLAAQWNV-UHFFFAOYSA-N
XLogP2.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.12
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-iodophenyl)-2-methylprop-2-en-1-amine?
The IUPAC name of 1-(2-iodophenyl)-2-methylprop-2-en-1-amine (CID 105005479) is 1-(2-iodophenyl)-2-methylprop-2-en-1-amine.
What is the SMILES notation for 1-(2-iodophenyl)-2-methylprop-2-en-1-amine?
The canonical SMILES for 1-(2-iodophenyl)-2-methylprop-2-en-1-amine is C=C(C)C(N)c1ccccc1I.
What is the InChIKey of 1-(2-iodophenyl)-2-methylprop-2-en-1-amine?
The InChIKey is YLXTUKNLAAQWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12IN/c1-7(2)10(12)8-5-3-4-6-9(8)11/h3-6,10H,1,12H2,2H3.
What are the key properties of 1-(2-iodophenyl)-2-methylprop-2-en-1-amine?
1-(2-iodophenyl)-2-methylprop-2-en-1-amine has a molecular weight of 273.12 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodophenyl)-2-methylprop-2-en-1-amine is sourced from PubChem (CID 105005479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).