1-(4-aminophenyl)ethanone

C8H9NO — CID 7468

IUPAC1-(4-aminophenyl)ethanone
SMILESCC(=O)c1ccc(N)cc1
InChIInChI=1S/C8H9NO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,9H2,1H3
InChIKeyGPRYKVSEZCQIHD-UHFFFAOYSA-N
MW135.17 g/mol
LogP1.47
Rot. Bonds1

About 1-(4-aminophenyl)ethanone

1-(4-aminophenyl)ethanone (PubChem CID 7468) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 1-(4-aminophenyl)ethanone.

Molecular Properties

Compound Name1-(4-aminophenyl)ethanone
PubChem CID7468
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name1-(4-aminophenyl)ethanone
SMILESCC(=O)c1ccc(N)cc1
InChIInChI=1S/C8H9NO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,9H2,1H3
InChIKeyGPRYKVSEZCQIHD-UHFFFAOYSA-N
XLogP1.47
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)ethanone?
The IUPAC name of 1-(4-aminophenyl)ethanone (CID 7468) is 1-(4-aminophenyl)ethanone.
What is the SMILES notation for 1-(4-aminophenyl)ethanone?
The canonical SMILES for 1-(4-aminophenyl)ethanone is CC(=O)c1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)ethanone?
The InChIKey is GPRYKVSEZCQIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,9H2,1H3.
What are the key properties of 1-(4-aminophenyl)ethanone?
1-(4-aminophenyl)ethanone has a molecular weight of 135.17 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)ethanone is sourced from PubChem (CID 7468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).