1-[2-(methylamino)phenyl]ethanone

C9H11NO — CID 15579583

IUPAC1-[2-(methylamino)phenyl]ethanone
SMILESCNc1ccccc1C(C)=O
InChIInChI=1S/C9H11NO/c1-7(11)8-5-3-4-6-9(8)10-2/h3-6,10H,1-2H3
InChIKeyCUHJQPWOSWMIAU-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.93
Rot. Bonds2

About 1-[2-(methylamino)phenyl]ethanone

1-[2-(methylamino)phenyl]ethanone (PubChem CID 15579583) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 1-[2-(methylamino)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-(methylamino)phenyl]ethanone
PubChem CID15579583
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name1-[2-(methylamino)phenyl]ethanone
SMILESCNc1ccccc1C(C)=O
InChIInChI=1S/C9H11NO/c1-7(11)8-5-3-4-6-9(8)10-2/h3-6,10H,1-2H3
InChIKeyCUHJQPWOSWMIAU-UHFFFAOYSA-N
XLogP1.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylamino)phenyl]ethanone?
The IUPAC name of 1-[2-(methylamino)phenyl]ethanone (CID 15579583) is 1-[2-(methylamino)phenyl]ethanone.
What is the SMILES notation for 1-[2-(methylamino)phenyl]ethanone?
The canonical SMILES for 1-[2-(methylamino)phenyl]ethanone is CNc1ccccc1C(C)=O.
What is the InChIKey of 1-[2-(methylamino)phenyl]ethanone?
The InChIKey is CUHJQPWOSWMIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-7(11)8-5-3-4-6-9(8)10-2/h3-6,10H,1-2H3.
What are the key properties of 1-[2-(methylamino)phenyl]ethanone?
1-[2-(methylamino)phenyl]ethanone has a molecular weight of 149.19 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylamino)phenyl]ethanone is sourced from PubChem (CID 15579583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).