1-(2,4-diiodophenyl)-N-propan-2-ylpropan-2-amine

C12H17I2N — CID 19086495

IUPAC1-(2,4-diiodophenyl)-N-propan-2-ylpropan-2-amine
SMILESCC(C)NC(C)Cc1ccc(I)cc1I
InChIInChI=1S/C12H17I2N/c1-8(2)15-9(3)6-10-4-5-11(13)7-12(10)14/h4-5,7-9,15H,6H2,1-3H3
InChIKeyMNWXBFAZUPHTML-UHFFFAOYSA-N
MW429.08 g/mol
LogP3.82
Rot. Bonds4

About 1-(2,4-diiodophenyl)-N-propan-2-ylpropan-2-amine

1-(2,4-diiodophenyl)-N-propan-2-ylpropan-2-amine (PubChem CID 19086495) has the molecular formula C12H17I2N and a molecular weight of 429.08 g/mol. Its IUPAC name is 1-(2,4-diiodophenyl)-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound Name1-(2,4-diiodophenyl)-N-propan-2-ylpropan-2-amine
PubChem CID19086495
Molecular FormulaC12H17I2N
Molecular Weight429.08 g/mol
Exact Mass428.95
IUPAC Name1-(2,4-diiodophenyl)-N-propan-2-ylpropan-2-amine
SMILESCC(C)NC(C)Cc1ccc(I)cc1I
InChIInChI=1S/C12H17I2N/c1-8(2)15-9(3)6-10-4-5-11(13)7-12(10)14/h4-5,7-9,15H,6H2,1-3H3
InChIKeyMNWXBFAZUPHTML-UHFFFAOYSA-N
XLogP3.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.08
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-(4-iodophenyl)-N-propan-2-ylpropan-2-amine
CID 6603875
N-[(2-chloro-4-iodophenyl)methyl]propan-2-amine
CID 130669925
N-[1-(4-iodophenyl)ethyl]-1-(2-methylphenyl)propan-2-amine
CID 63449736
1-(2,5-dimethoxy-4-methylphenyl)-N-propan-2-ylpropan-2-amine
CID 112513449
N-propan-2-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-amine
CID 82262476
1-(4-chloro-2-iodophenyl)propan-2-amine
CID 130001695
(2,4-diiodophenyl)methyl-triethoxysilane
CID 153491476
1-(2,6-difluorophenyl)-N-propan-2-ylpropan-2-amine
CID 60942715
1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-propan-2-ylpropan-2-amine
CID 112513604
1-(5-iodo-2-methylphenyl)propan-2-amine
CID 130041396
N-propan-2-yl-1-thiophen-2-ylpropan-2-amine
CID 15162973
4-[2,6-diiodo-4-[2-(propan-2-ylamino)propyl]phenoxy]-2,6-diiodophenol;4-[2,6-diiodo-4-[2-(propan-2-ylamino)propyl]phenoxy]-2-iodophenol
CID 159882820

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-diiodophenyl)-N-propan-2-ylpropan-2-amine?
The IUPAC name of 1-(2,4-diiodophenyl)-N-propan-2-ylpropan-2-amine (CID 19086495) is 1-(2,4-diiodophenyl)-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for 1-(2,4-diiodophenyl)-N-propan-2-ylpropan-2-amine?
The canonical SMILES for 1-(2,4-diiodophenyl)-N-propan-2-ylpropan-2-amine is CC(C)NC(C)Cc1ccc(I)cc1I.
What is the InChIKey of 1-(2,4-diiodophenyl)-N-propan-2-ylpropan-2-amine?
The InChIKey is MNWXBFAZUPHTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17I2N/c1-8(2)15-9(3)6-10-4-5-11(13)7-12(10)14/h4-5,7-9,15H,6H2,1-3H3.
What are the key properties of 1-(2,4-diiodophenyl)-N-propan-2-ylpropan-2-amine?
1-(2,4-diiodophenyl)-N-propan-2-ylpropan-2-amine has a molecular weight of 429.08 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-diiodophenyl)-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 19086495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).