1-(2-amino-5-iodo-4-methylphenyl)ethanone

C9H10INO — CID 131596572

IUPAC1-(2-amino-5-iodo-4-methylphenyl)ethanone
SMILESCC(=O)c1cc(I)c(C)cc1N
InChIInChI=1S/C9H10INO/c1-5-3-9(11)7(6(2)12)4-8(5)10/h3-4H,11H2,1-2H3
InChIKeyAWJVFPITOGQYEY-UHFFFAOYSA-N
MW275.09 g/mol
LogP2.38
Rot. Bonds1

About 1-(2-amino-5-iodo-4-methylphenyl)ethanone

1-(2-amino-5-iodo-4-methylphenyl)ethanone (PubChem CID 131596572) has the molecular formula C9H10INO and a molecular weight of 275.09 g/mol. Its IUPAC name is 1-(2-amino-5-iodo-4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-amino-5-iodo-4-methylphenyl)ethanone
PubChem CID131596572
Molecular FormulaC9H10INO
Molecular Weight275.09 g/mol
Exact Mass274.98
IUPAC Name1-(2-amino-5-iodo-4-methylphenyl)ethanone
SMILESCC(=O)c1cc(I)c(C)cc1N
InChIInChI=1S/C9H10INO/c1-5-3-9(11)7(6(2)12)4-8(5)10/h3-4H,11H2,1-2H3
InChIKeyAWJVFPITOGQYEY-UHFFFAOYSA-N
XLogP2.38
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.09
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-hydroxy-4-iodo-5-methylphenyl)ethanone
CID 58207836
1-(2,4,5-triaminophenyl)ethanone
CID 163413679
1-(2-fluoro-4-iodo-5-methylphenyl)ethanone
CID 171022676
1-[5-iodo-4-methyl-2-(N-methyl-C-propan-2-ylcarbonimidoyl)phenyl]ethanone
CID 170257829
2-amino-4,5-diiodobenzoic acid
CID 20534143
5-iodo-2,4-dimethylbenzoic acid
CID 23091875
1-[2-amino-4-(difluoromethyl)-5-methylphenyl]ethanone
CID 170996744
1-(5-amino-4-chloro-2-iodophenyl)ethanone
CID 131577542
1-(2-amino-4,5-dimethoxyphenyl)ethanone;hydrobromide
CID 172866698
1-(5-bromo-2-iodo-4-methylphenyl)ethanone
CID 131429614
1-(3-amino-4-iodo-2-methylphenyl)ethanone
CID 171027183
1-(5-fluoro-4-iodo-2-methylphenyl)ethanone
CID 171022798

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-iodo-4-methylphenyl)ethanone?
The IUPAC name of 1-(2-amino-5-iodo-4-methylphenyl)ethanone (CID 131596572) is 1-(2-amino-5-iodo-4-methylphenyl)ethanone.
What is the SMILES notation for 1-(2-amino-5-iodo-4-methylphenyl)ethanone?
The canonical SMILES for 1-(2-amino-5-iodo-4-methylphenyl)ethanone is CC(=O)c1cc(I)c(C)cc1N.
What is the InChIKey of 1-(2-amino-5-iodo-4-methylphenyl)ethanone?
The InChIKey is AWJVFPITOGQYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10INO/c1-5-3-9(11)7(6(2)12)4-8(5)10/h3-4H,11H2,1-2H3.
What are the key properties of 1-(2-amino-5-iodo-4-methylphenyl)ethanone?
1-(2-amino-5-iodo-4-methylphenyl)ethanone has a molecular weight of 275.09 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-iodo-4-methylphenyl)ethanone is sourced from PubChem (CID 131596572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).