5-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]pentan-2-one

C16H25NO2 — CID 115236702

IUPAC5-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]pentan-2-one
SMILESCOc1cc(C)cc(C)c1CCNCCCC(C)=O
InChIInChI=1S/C16H25NO2/c1-12-10-13(2)15(16(11-12)19-4)7-9-17-8-5-6-14(3)18/h10-11,17H,5-9H2,1-4H3
InChIKeyCKZJEWGJGBFMEO-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.81
Rot. Bonds8

About 5-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]pentan-2-one

5-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]pentan-2-one (PubChem CID 115236702) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 5-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]pentan-2-one.

Molecular Properties

Compound Name5-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]pentan-2-one
PubChem CID115236702
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name5-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]pentan-2-one
SMILESCOc1cc(C)cc(C)c1CCNCCCC(C)=O
InChIInChI=1S/C16H25NO2/c1-12-10-13(2)15(16(11-12)19-4)7-9-17-8-5-6-14(3)18/h10-11,17H,5-9H2,1-4H3
InChIKeyCKZJEWGJGBFMEO-UHFFFAOYSA-N
XLogP2.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]butanoic acid
CID 115218737
2-(2-methoxy-4,6-dimethylphenyl)ethylcarbamic acid
CID 115171165
2-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]ethanethiol
CID 115224262
methyl 4-(2-methoxy-4,6-dimethylphenyl)butanoate
CID 98784006
5-(2,4-dimethoxy-6-methylphenyl)pentan-2-one
CID 116927802
methyl 2-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]-2-oxoacetate
CID 115142563
2,2,2-trifluoro-N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]ethanamine
CID 115258054
N'-cyclopropyl-N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]ethane-1,2-diamine
CID 115207098
4-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]butanoic acid
CID 115218709
5-[2-(2,5-dimethoxyphenyl)ethylamino]pentan-2-one
CID 115236656
5-[2-(5-fluoro-2-methoxyphenyl)ethylamino]pentan-2-one
CID 115236659
ethyl 3-(2-methoxy-4,6-dimethylphenyl)propanoate
CID 106681194

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]pentan-2-one?
The IUPAC name of 5-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]pentan-2-one (CID 115236702) is 5-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]pentan-2-one.
What is the SMILES notation for 5-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]pentan-2-one?
The canonical SMILES for 5-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]pentan-2-one is COc1cc(C)cc(C)c1CCNCCCC(C)=O.
What is the InChIKey of 5-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]pentan-2-one?
The InChIKey is CKZJEWGJGBFMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12-10-13(2)15(16(11-12)19-4)7-9-17-8-5-6-14(3)18/h10-11,17H,5-9H2,1-4H3.
What are the key properties of 5-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]pentan-2-one?
5-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]pentan-2-one has a molecular weight of 263.38 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]pentan-2-one is sourced from PubChem (CID 115236702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).