1-(5-chloro-2-methoxy-3,4,6-trimethylanilino)propan-2-one

C13H18ClNO2 — CID 115234523

IUPAC1-(5-chloro-2-methoxy-3,4,6-trimethylanilino)propan-2-one
SMILESCOc1c(C)c(C)c(Cl)c(C)c1NCC(C)=O
InChIInChI=1S/C13H18ClNO2/c1-7(16)6-15-12-10(4)11(14)8(2)9(3)13(12)17-5/h15H,6H2,1-5H3
InChIKeyAVAZBGOFICRFPD-UHFFFAOYSA-N
MW255.74 g/mol
LogP3.27
Rot. Bonds4

About 1-(5-chloro-2-methoxy-3,4,6-trimethylanilino)propan-2-one

1-(5-chloro-2-methoxy-3,4,6-trimethylanilino)propan-2-one (PubChem CID 115234523) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxy-3,4,6-trimethylanilino)propan-2-one.

Molecular Properties

Compound Name1-(5-chloro-2-methoxy-3,4,6-trimethylanilino)propan-2-one
PubChem CID115234523
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name1-(5-chloro-2-methoxy-3,4,6-trimethylanilino)propan-2-one
SMILESCOc1c(C)c(C)c(Cl)c(C)c1NCC(C)=O
InChIInChI=1S/C13H18ClNO2/c1-7(16)6-15-12-10(4)11(14)8(2)9(3)13(12)17-5/h15H,6H2,1-5H3
InChIKeyAVAZBGOFICRFPD-UHFFFAOYSA-N
XLogP3.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methylamino]propan-2-one
CID 115234808
N-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-1-cyanoformamide
CID 115171933
5-(5-bromo-2-methoxy-3,4,6-trimethylanilino)pentan-2-one
CID 115236291
2-amino-1-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-2-methylpropan-1-one
CID 116915424
N-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methyl]ethanamine
CID 115259388
5-bromo-N-(chloromethyl)-2-methoxy-3,4,6-trimethylaniline
CID 115262775
1-(2,4,6-trimethoxyanilino)propan-2-one
CID 115234477
3-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-2-methylpropanoic acid
CID 115112862
1-(4,5-dimethoxy-2-methylanilino)propan-2-one
CID 115234469
2-(5-bromo-2-methoxy-3,4,6-trimethylanilino)ethanol
CID 115216070
N-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)carbamoyl chloride
CID 115194439
2-(3-chloro-6-methoxy-2,4-dimethylanilino)-N,N-dimethylacetamide
CID 96679162

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxy-3,4,6-trimethylanilino)propan-2-one?
The IUPAC name of 1-(5-chloro-2-methoxy-3,4,6-trimethylanilino)propan-2-one (CID 115234523) is 1-(5-chloro-2-methoxy-3,4,6-trimethylanilino)propan-2-one.
What is the SMILES notation for 1-(5-chloro-2-methoxy-3,4,6-trimethylanilino)propan-2-one?
The canonical SMILES for 1-(5-chloro-2-methoxy-3,4,6-trimethylanilino)propan-2-one is COc1c(C)c(C)c(Cl)c(C)c1NCC(C)=O.
What is the InChIKey of 1-(5-chloro-2-methoxy-3,4,6-trimethylanilino)propan-2-one?
The InChIKey is AVAZBGOFICRFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-7(16)6-15-12-10(4)11(14)8(2)9(3)13(12)17-5/h15H,6H2,1-5H3.
What are the key properties of 1-(5-chloro-2-methoxy-3,4,6-trimethylanilino)propan-2-one?
1-(5-chloro-2-methoxy-3,4,6-trimethylanilino)propan-2-one has a molecular weight of 255.74 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxy-3,4,6-trimethylanilino)propan-2-one is sourced from PubChem (CID 115234523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).