2-bromo-N-ethyl-5-iodoaniline

C8H9BrIN — CID 130498441

IUPAC2-bromo-N-ethyl-5-iodoaniline
SMILESCCNc1cc(I)ccc1Br
InChIInChI=1S/C8H9BrIN/c1-2-11-8-5-6(10)3-4-7(8)9/h3-5,11H,2H2,1H3
InChIKeyPNLZZADCYNBJJR-UHFFFAOYSA-N
MW325.98 g/mol
LogP3.49
Rot. Bonds2

About 2-bromo-N-ethyl-5-iodoaniline

2-bromo-N-ethyl-5-iodoaniline (PubChem CID 130498441) has the molecular formula C8H9BrIN and a molecular weight of 325.98 g/mol. Its IUPAC name is 2-bromo-N-ethyl-5-iodoaniline.

Molecular Properties

Compound Name2-bromo-N-ethyl-5-iodoaniline
PubChem CID130498441
Molecular FormulaC8H9BrIN
Molecular Weight325.98 g/mol
Exact Mass324.90
IUPAC Name2-bromo-N-ethyl-5-iodoaniline
SMILESCCNc1cc(I)ccc1Br
InChIInChI=1S/C8H9BrIN/c1-2-11-8-5-6(10)3-4-7(8)9/h3-5,11H,2H2,1H3
InChIKeyPNLZZADCYNBJJR-UHFFFAOYSA-N
XLogP3.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.98
LogP ≤ 53.49
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

2-bromo-5-iodo-N-(2-methoxyethyl)aniline
CID 126975654
2-bromo-N-(3-ethylsulfonylpropyl)-5-iodoaniline
CID 113356624
(2-bromo-5-iodophenyl)hydrazine
CID 130164634
2-(2-bromo-5-iodoanilino)-N-(2-methylbutan-2-yl)acetamide
CID 113231069
2-bromo-5-iodo-N-propan-2-ylaniline
CID 126975603
2-bromo-5-iodo-N-(2-phenylethyl)aniline
CID 114258923
2-bromo-N-[(3-bromo-4-fluorophenyl)methyl]-5-iodoaniline
CID 114258758
2-bromo-N-[(3-chlorophenyl)methyl]-5-iodoaniline
CID 114258893
2-bromo-N-ethylaniline;hydrobromide
CID 175521152
2-amino-N-(2-bromo-5-iodophenyl)-2-methylpentanamide
CID 114259858
2-(ethylamino)-5-iodobenzoic acid
CID 68830634
N-(2-bromo-5-iodophenyl)-2,2-difluoropropanamide
CID 130987362

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-ethyl-5-iodoaniline?
The IUPAC name of 2-bromo-N-ethyl-5-iodoaniline (CID 130498441) is 2-bromo-N-ethyl-5-iodoaniline.
What is the SMILES notation for 2-bromo-N-ethyl-5-iodoaniline?
The canonical SMILES for 2-bromo-N-ethyl-5-iodoaniline is CCNc1cc(I)ccc1Br.
What is the InChIKey of 2-bromo-N-ethyl-5-iodoaniline?
The InChIKey is PNLZZADCYNBJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrIN/c1-2-11-8-5-6(10)3-4-7(8)9/h3-5,11H,2H2,1H3.
What are the key properties of 2-bromo-N-ethyl-5-iodoaniline?
2-bromo-N-ethyl-5-iodoaniline has a molecular weight of 325.98 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-ethyl-5-iodoaniline is sourced from PubChem (CID 130498441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).