1-[4-[ethyl(methyl)amino]-3-methylphenyl]ethanone

C12H17NO — CID 20641435

IUPAC1-[4-[ethyl(methyl)amino]-3-methylphenyl]ethanone
SMILESCCN(C)c1ccc(C(C)=O)cc1C
InChIInChI=1S/C12H17NO/c1-5-13(4)12-7-6-11(10(3)14)8-9(12)2/h6-8H,5H2,1-4H3
InChIKeyXXVCRHHLWOXIHK-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.65
Rot. Bonds3

About 1-[4-[ethyl(methyl)amino]-3-methylphenyl]ethanone

1-[4-[ethyl(methyl)amino]-3-methylphenyl]ethanone (PubChem CID 20641435) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-[4-[ethyl(methyl)amino]-3-methylphenyl]ethanone.

Molecular Properties

Compound Name1-[4-[ethyl(methyl)amino]-3-methylphenyl]ethanone
PubChem CID20641435
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-[4-[ethyl(methyl)amino]-3-methylphenyl]ethanone
SMILESCCN(C)c1ccc(C(C)=O)cc1C
InChIInChI=1S/C12H17NO/c1-5-13(4)12-7-6-11(10(3)14)8-9(12)2/h6-8H,5H2,1-4H3
InChIKeyXXVCRHHLWOXIHK-UHFFFAOYSA-N
XLogP2.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4-[ethyl(methyl)amino]-3-methylphenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[ethyl(methyl)amino]-3-methylphenyl]ethanone?
The IUPAC name of 1-[4-[ethyl(methyl)amino]-3-methylphenyl]ethanone (CID 20641435) is 1-[4-[ethyl(methyl)amino]-3-methylphenyl]ethanone.
What is the SMILES notation for 1-[4-[ethyl(methyl)amino]-3-methylphenyl]ethanone?
The canonical SMILES for 1-[4-[ethyl(methyl)amino]-3-methylphenyl]ethanone is CCN(C)c1ccc(C(C)=O)cc1C.
What is the InChIKey of 1-[4-[ethyl(methyl)amino]-3-methylphenyl]ethanone?
The InChIKey is XXVCRHHLWOXIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-5-13(4)12-7-6-11(10(3)14)8-9(12)2/h6-8H,5H2,1-4H3.
What are the key properties of 1-[4-[ethyl(methyl)amino]-3-methylphenyl]ethanone?
1-[4-[ethyl(methyl)amino]-3-methylphenyl]ethanone has a molecular weight of 191.27 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[ethyl(methyl)amino]-3-methylphenyl]ethanone is sourced from PubChem (CID 20641435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).