1-(2-amino-6-methylphenyl)ethanone

C9H11NO — CID 14202257

IUPAC1-(2-amino-6-methylphenyl)ethanone
SMILESCC(=O)c1c(C)cccc1N
InChIInChI=1S/C9H11NO/c1-6-4-3-5-8(10)9(6)7(2)11/h3-5H,10H2,1-2H3
InChIKeyFCFCALLCKMWREK-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.78
Rot. Bonds1

About 1-(2-amino-6-methylphenyl)ethanone

1-(2-amino-6-methylphenyl)ethanone (PubChem CID 14202257) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 1-(2-amino-6-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-amino-6-methylphenyl)ethanone
PubChem CID14202257
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name1-(2-amino-6-methylphenyl)ethanone
SMILESCC(=O)c1c(C)cccc1N
InChIInChI=1S/C9H11NO/c1-6-4-3-5-8(10)9(6)7(2)11/h3-5H,10H2,1-2H3
InChIKeyFCFCALLCKMWREK-UHFFFAOYSA-N
XLogP1.78
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.78
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-(2-amino-6-methylphenyl)ethanone?
The IUPAC name of 1-(2-amino-6-methylphenyl)ethanone (CID 14202257) is 1-(2-amino-6-methylphenyl)ethanone.
What is the SMILES notation for 1-(2-amino-6-methylphenyl)ethanone?
The canonical SMILES for 1-(2-amino-6-methylphenyl)ethanone is CC(=O)c1c(C)cccc1N.
What is the InChIKey of 1-(2-amino-6-methylphenyl)ethanone?
The InChIKey is FCFCALLCKMWREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-6-4-3-5-8(10)9(6)7(2)11/h3-5H,10H2,1-2H3.
What are the key properties of 1-(2-amino-6-methylphenyl)ethanone?
1-(2-amino-6-methylphenyl)ethanone has a molecular weight of 149.19 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-6-methylphenyl)ethanone is sourced from PubChem (CID 14202257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).