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

C13H18ClNO2 — CID 115234582

IUPAC1-(3-chloro-6-methoxy-N,2,4-trimethylanilino)propan-2-one
SMILESCOc1cc(C)c(Cl)c(C)c1N(C)CC(C)=O
InChIInChI=1S/C13H18ClNO2/c1-8-6-11(17-5)13(10(3)12(8)14)15(4)7-9(2)16/h6H,7H2,1-5H3
InChIKeyOKEAYVNERIAJDT-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.99
Rot. Bonds4

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

1-(3-chloro-6-methoxy-N,2,4-trimethylanilino)propan-2-one (PubChem CID 115234582) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 1-(3-chloro-6-methoxy-N,2,4-trimethylanilino)propan-2-one.

Molecular Properties

Compound Name1-(3-chloro-6-methoxy-N,2,4-trimethylanilino)propan-2-one
PubChem CID115234582
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name1-(3-chloro-6-methoxy-N,2,4-trimethylanilino)propan-2-one
SMILESCOc1cc(C)c(Cl)c(C)c1N(C)CC(C)=O
InChIInChI=1S/C13H18ClNO2/c1-8-6-11(17-5)13(10(3)12(8)14)15(4)7-9(2)16/h6H,7H2,1-5H3
InChIKeyOKEAYVNERIAJDT-UHFFFAOYSA-N
XLogP2.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-6-methoxy-N-(methoxymethyl)-N,2,4-trimethylaniline
CID 115258379
N-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methyl-2-oxopropanamide
CID 115175491
1-(5-chloro-2-methoxy-N,4-dimethylanilino)propan-2-one
CID 115234566
2-(3-chloro-6-methoxy-2,4-dimethylanilino)-N,N-dimethylacetamide
CID 96679162
4-(5-chloro-2-methoxy-N,4-dimethylanilino)butan-2-one
CID 115235517
5-(4-methoxy-N,2,3,6-tetramethylanilino)pentan-2-one
CID 115236416
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-oxoacetamide
CID 116924450
1-[2-(4,5-dimethoxy-2-methylphenyl)ethyl-methylamino]propan-2-one
CID 115235176
1-(3-fluoro-4-methoxy-N-methylanilino)propan-2-one
CID 115234535
2-(3-chloro-6-methoxy-2,4-dimethylanilino)-2-oxoacetic acid
CID 82500008
4-(2,5-dimethoxy-N,4-dimethylanilino)butan-2-one
CID 115235537
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)prop-2-enoic acid
CID 82292853

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-6-methoxy-N,2,4-trimethylanilino)propan-2-one?
The IUPAC name of 1-(3-chloro-6-methoxy-N,2,4-trimethylanilino)propan-2-one (CID 115234582) is 1-(3-chloro-6-methoxy-N,2,4-trimethylanilino)propan-2-one.
What is the SMILES notation for 1-(3-chloro-6-methoxy-N,2,4-trimethylanilino)propan-2-one?
The canonical SMILES for 1-(3-chloro-6-methoxy-N,2,4-trimethylanilino)propan-2-one is COc1cc(C)c(Cl)c(C)c1N(C)CC(C)=O.
What is the InChIKey of 1-(3-chloro-6-methoxy-N,2,4-trimethylanilino)propan-2-one?
The InChIKey is OKEAYVNERIAJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-8-6-11(17-5)13(10(3)12(8)14)15(4)7-9(2)16/h6H,7H2,1-5H3.
What are the key properties of 1-(3-chloro-6-methoxy-N,2,4-trimethylanilino)propan-2-one?
1-(3-chloro-6-methoxy-N,2,4-trimethylanilino)propan-2-one has a molecular weight of 255.74 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-6-methoxy-N,2,4-trimethylanilino)propan-2-one is sourced from PubChem (CID 115234582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).