4-ethyl-2-iodo-6-methylaniline

C9H12IN — CID 131491487

IUPAC4-ethyl-2-iodo-6-methylaniline
SMILESCCc1cc(C)c(N)c(I)c1
InChIInChI=1S/C9H12IN/c1-3-7-4-6(2)9(11)8(10)5-7/h4-5H,3,11H2,1-2H3
InChIKeyPCZUVGWGCBADCU-UHFFFAOYSA-N
MW261.11 g/mol
LogP2.74
Rot. Bonds1

About 4-ethyl-2-iodo-6-methylaniline

4-ethyl-2-iodo-6-methylaniline (PubChem CID 131491487) has the molecular formula C9H12IN and a molecular weight of 261.11 g/mol. Its IUPAC name is 4-ethyl-2-iodo-6-methylaniline.

Molecular Properties

Compound Name4-ethyl-2-iodo-6-methylaniline
PubChem CID131491487
Molecular FormulaC9H12IN
Molecular Weight261.11 g/mol
Exact Mass261.00
IUPAC Name4-ethyl-2-iodo-6-methylaniline
SMILESCCc1cc(C)c(N)c(I)c1
InChIInChI=1S/C9H12IN/c1-3-7-4-6(2)9(11)8(10)5-7/h4-5H,3,11H2,1-2H3
InChIKeyPCZUVGWGCBADCU-UHFFFAOYSA-N
XLogP2.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.11
LogP ≤ 52.74
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 4-ethyl-2-iodo-6-methylaniline?
The IUPAC name of 4-ethyl-2-iodo-6-methylaniline (CID 131491487) is 4-ethyl-2-iodo-6-methylaniline.
What is the SMILES notation for 4-ethyl-2-iodo-6-methylaniline?
The canonical SMILES for 4-ethyl-2-iodo-6-methylaniline is CCc1cc(C)c(N)c(I)c1.
What is the InChIKey of 4-ethyl-2-iodo-6-methylaniline?
The InChIKey is PCZUVGWGCBADCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12IN/c1-3-7-4-6(2)9(11)8(10)5-7/h4-5H,3,11H2,1-2H3.
What are the key properties of 4-ethyl-2-iodo-6-methylaniline?
4-ethyl-2-iodo-6-methylaniline has a molecular weight of 261.11 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-iodo-6-methylaniline is sourced from PubChem (CID 131491487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).