1-(4-iodophenyl)-N-propan-2-ylpropan-2-amine

C12H18IN — CID 3729

IUPAC1-(4-iodophenyl)-N-propan-2-ylpropan-2-amine
SMILESCC(C)NC(C)Cc1ccc(I)cc1
InChIInChI=1S/C12H18IN/c1-9(2)14-10(3)8-11-4-6-12(13)7-5-11/h4-7,9-10,14H,8H2,1-3H3
InChIKeyISEHJSHTIVKELA-UHFFFAOYSA-N
MW303.19 g/mol
LogP3.22
Rot. Bonds4

About 1-(4-iodophenyl)-N-propan-2-ylpropan-2-amine

1-(4-iodophenyl)-N-propan-2-ylpropan-2-amine (PubChem CID 3729) has the molecular formula C12H18IN and a molecular weight of 303.19 g/mol. Its IUPAC name is 1-(4-iodophenyl)-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound Name1-(4-iodophenyl)-N-propan-2-ylpropan-2-amine
PubChem CID3729
Molecular FormulaC12H18IN
Molecular Weight303.19 g/mol
Exact Mass303.05
IUPAC Name1-(4-iodophenyl)-N-propan-2-ylpropan-2-amine
SMILESCC(C)NC(C)Cc1ccc(I)cc1
InChIInChI=1S/C12H18IN/c1-9(2)14-10(3)8-11-4-6-12(13)7-5-11/h4-7,9-10,14H,8H2,1-3H3
InChIKeyISEHJSHTIVKELA-UHFFFAOYSA-N
XLogP3.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)-N-propan-2-ylpropan-2-amine?
The IUPAC name of 1-(4-iodophenyl)-N-propan-2-ylpropan-2-amine (CID 3729) is 1-(4-iodophenyl)-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for 1-(4-iodophenyl)-N-propan-2-ylpropan-2-amine?
The canonical SMILES for 1-(4-iodophenyl)-N-propan-2-ylpropan-2-amine is CC(C)NC(C)Cc1ccc(I)cc1.
What is the InChIKey of 1-(4-iodophenyl)-N-propan-2-ylpropan-2-amine?
The InChIKey is ISEHJSHTIVKELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18IN/c1-9(2)14-10(3)8-11-4-6-12(13)7-5-11/h4-7,9-10,14H,8H2,1-3H3.
What are the key properties of 1-(4-iodophenyl)-N-propan-2-ylpropan-2-amine?
1-(4-iodophenyl)-N-propan-2-ylpropan-2-amine has a molecular weight of 303.19 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 3729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).