1-(5-amino-2-iodophenyl)propan-1-one

C9H10INO — CID 118852727

IUPAC1-(5-amino-2-iodophenyl)propan-1-one
SMILESCCC(=O)c1cc(N)ccc1I
InChIInChI=1S/C9H10INO/c1-2-9(12)7-5-6(11)3-4-8(7)10/h3-5H,2,11H2,1H3
InChIKeyXKTSMZYWWGVUPP-UHFFFAOYSA-N
MW275.09 g/mol
LogP2.47
Rot. Bonds2

About 1-(5-amino-2-iodophenyl)propan-1-one

1-(5-amino-2-iodophenyl)propan-1-one (PubChem CID 118852727) has the molecular formula C9H10INO and a molecular weight of 275.09 g/mol. Its IUPAC name is 1-(5-amino-2-iodophenyl)propan-1-one.

Molecular Properties

Compound Name1-(5-amino-2-iodophenyl)propan-1-one
PubChem CID118852727
Molecular FormulaC9H10INO
Molecular Weight275.09 g/mol
Exact Mass274.98
IUPAC Name1-(5-amino-2-iodophenyl)propan-1-one
SMILESCCC(=O)c1cc(N)ccc1I
InChIInChI=1S/C9H10INO/c1-2-9(12)7-5-6(11)3-4-8(7)10/h3-5H,2,11H2,1H3
InChIKeyXKTSMZYWWGVUPP-UHFFFAOYSA-N
XLogP2.47
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.09
LogP ≤ 52.47
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-[5-amino-2-(bromomethyl)phenyl]propan-1-one
CID 130864941
1-(2-iodo-5-nitrophenyl)propan-1-one
CID 118824443
1-(5-amino-2-phenoxyphenyl)propan-1-one
CID 174383194
1-(4-aminophenyl)propan-1-one
CID 6270
ethyl 2-(5-amino-2-iodophenyl)acetate
CID 134638544
1-(4-amino-2-iodophenyl)-3-chloropropan-1-one
CID 118824541
1-(2-amino-4-hydroxyphenyl)propan-1-one
CID 22282751
1-(3-aminophenyl)propan-1-one;propane
CID 145257024
1-(5-amino-2-methylphenyl)-2-chloroethanone
CID 88924641
1-[5-amino-2-[4-(2-hydroxypropan-2-yl)pyrazol-1-yl]phenyl]propan-1-one
CID 166919213
1-[5-amino-2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propan-1-one
CID 165343405
1-[5-amino-2-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propan-1-one
CID 125483290

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-iodophenyl)propan-1-one?
The IUPAC name of 1-(5-amino-2-iodophenyl)propan-1-one (CID 118852727) is 1-(5-amino-2-iodophenyl)propan-1-one.
What is the SMILES notation for 1-(5-amino-2-iodophenyl)propan-1-one?
The canonical SMILES for 1-(5-amino-2-iodophenyl)propan-1-one is CCC(=O)c1cc(N)ccc1I.
What is the InChIKey of 1-(5-amino-2-iodophenyl)propan-1-one?
The InChIKey is XKTSMZYWWGVUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10INO/c1-2-9(12)7-5-6(11)3-4-8(7)10/h3-5H,2,11H2,1H3.
What are the key properties of 1-(5-amino-2-iodophenyl)propan-1-one?
1-(5-amino-2-iodophenyl)propan-1-one has a molecular weight of 275.09 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-iodophenyl)propan-1-one is sourced from PubChem (CID 118852727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).