2-(2,2-dimethylpropyl)-4-iodoaniline

C11H16IN — CID 175640308

IUPAC2-(2,2-dimethylpropyl)-4-iodoaniline
SMILESCC(C)(C)Cc1cc(I)ccc1N
InChIInChI=1S/C11H16IN/c1-11(2,3)7-8-6-9(12)4-5-10(8)13/h4-6H,7,13H2,1-3H3
InChIKeyVELCVQINEBSEMM-UHFFFAOYSA-N
MW289.16 g/mol
LogP3.46
Rot. Bonds1

About 2-(2,2-dimethylpropyl)-4-iodoaniline

2-(2,2-dimethylpropyl)-4-iodoaniline (PubChem CID 175640308) has the molecular formula C11H16IN and a molecular weight of 289.16 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-4-iodoaniline.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-4-iodoaniline
PubChem CID175640308
Molecular FormulaC11H16IN
Molecular Weight289.16 g/mol
Exact Mass289.03
IUPAC Name2-(2,2-dimethylpropyl)-4-iodoaniline
SMILESCC(C)(C)Cc1cc(I)ccc1N
InChIInChI=1S/C11H16IN/c1-11(2,3)7-8-6-9(12)4-5-10(8)13/h4-6H,7,13H2,1-3H3
InChIKeyVELCVQINEBSEMM-UHFFFAOYSA-N
XLogP3.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-4-iodoaniline?
The IUPAC name of 2-(2,2-dimethylpropyl)-4-iodoaniline (CID 175640308) is 2-(2,2-dimethylpropyl)-4-iodoaniline.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-4-iodoaniline?
The canonical SMILES for 2-(2,2-dimethylpropyl)-4-iodoaniline is CC(C)(C)Cc1cc(I)ccc1N.
What is the InChIKey of 2-(2,2-dimethylpropyl)-4-iodoaniline?
The InChIKey is VELCVQINEBSEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN/c1-11(2,3)7-8-6-9(12)4-5-10(8)13/h4-6H,7,13H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpropyl)-4-iodoaniline?
2-(2,2-dimethylpropyl)-4-iodoaniline has a molecular weight of 289.16 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-4-iodoaniline is sourced from PubChem (CID 175640308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).