4-[2-(4-methoxy-2,3-dimethylphenyl)ethyl-methylamino]butan-2-one

C16H25NO2 — CID 115236061

IUPAC4-[2-(4-methoxy-2,3-dimethylphenyl)ethyl-methylamino]butan-2-one
SMILESCOc1ccc(CCN(C)CCC(C)=O)c(C)c1C
InChIInChI=1S/C16H25NO2/c1-12(18)8-10-17(4)11-9-15-6-7-16(19-5)14(3)13(15)2/h6-7H,8-11H2,1-5H3
InChIKeyHAWFLEXOCMUBAC-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.77
Rot. Bonds7

About 4-[2-(4-methoxy-2,3-dimethylphenyl)ethyl-methylamino]butan-2-one

4-[2-(4-methoxy-2,3-dimethylphenyl)ethyl-methylamino]butan-2-one (PubChem CID 115236061) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-[2-(4-methoxy-2,3-dimethylphenyl)ethyl-methylamino]butan-2-one.

Molecular Properties

Compound Name4-[2-(4-methoxy-2,3-dimethylphenyl)ethyl-methylamino]butan-2-one
PubChem CID115236061
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4-[2-(4-methoxy-2,3-dimethylphenyl)ethyl-methylamino]butan-2-one
SMILESCOc1ccc(CCN(C)CCC(C)=O)c(C)c1C
InChIInChI=1S/C16H25NO2/c1-12(18)8-10-17(4)11-9-15-6-7-16(19-5)14(3)13(15)2/h6-7H,8-11H2,1-5H3
InChIKeyHAWFLEXOCMUBAC-UHFFFAOYSA-N
XLogP2.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-methoxy-2,3-dimethylphenyl)methyl-methylamino]butan-2-one
CID 115235817
[2-(4-methoxy-2,3-dimethylphenyl)ethyl-methylamino]methanol
CID 115229495
methyl 4-(4-methoxy-2,3-dimethylphenyl)butanoate
CID 98784005
N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methylacetamide
CID 115191161
2-(4-methoxy-2,3-dimethylphenyl)ethyl-methylcyanamide
CID 117043513
2-(2,4-dimethoxy-3-methylphenyl)-N-(hydrazinylmethyl)-N-methylethanamine
CID 115261302
1-[2-(4,5-dimethoxy-2-methylphenyl)ethyl-methylamino]propan-2-one
CID 115235176
4-[(4-methoxy-2,3,5-trimethylphenyl)methyl-methylamino]butan-2-one
CID 115235813
N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine
CID 71002758
4-[(5-chloro-2-methoxy-4-methylphenyl)methyl-methylamino]butan-2-one
CID 115235800
N-butyl-2-(4-methoxy-2,3-dimethylphenyl)-N-methylacetamide
CID 110769670
5-[(2,4-dimethoxyphenyl)methyl-methylamino]pentan-2-one
CID 115236585

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxy-2,3-dimethylphenyl)ethyl-methylamino]butan-2-one?
The IUPAC name of 4-[2-(4-methoxy-2,3-dimethylphenyl)ethyl-methylamino]butan-2-one (CID 115236061) is 4-[2-(4-methoxy-2,3-dimethylphenyl)ethyl-methylamino]butan-2-one.
What is the SMILES notation for 4-[2-(4-methoxy-2,3-dimethylphenyl)ethyl-methylamino]butan-2-one?
The canonical SMILES for 4-[2-(4-methoxy-2,3-dimethylphenyl)ethyl-methylamino]butan-2-one is COc1ccc(CCN(C)CCC(C)=O)c(C)c1C.
What is the InChIKey of 4-[2-(4-methoxy-2,3-dimethylphenyl)ethyl-methylamino]butan-2-one?
The InChIKey is HAWFLEXOCMUBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12(18)8-10-17(4)11-9-15-6-7-16(19-5)14(3)13(15)2/h6-7H,8-11H2,1-5H3.
What are the key properties of 4-[2-(4-methoxy-2,3-dimethylphenyl)ethyl-methylamino]butan-2-one?
4-[2-(4-methoxy-2,3-dimethylphenyl)ethyl-methylamino]butan-2-one has a molecular weight of 263.38 g/mol, XLogP of 2.77, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxy-2,3-dimethylphenyl)ethyl-methylamino]butan-2-one is sourced from PubChem (CID 115236061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).