5-[(2,4-dimethoxyphenyl)methyl-methylamino]pentan-2-one

C15H23NO3 — CID 115236585

IUPAC5-[(2,4-dimethoxyphenyl)methyl-methylamino]pentan-2-one
SMILESCOc1ccc(CN(C)CCCC(C)=O)c(OC)c1
InChIInChI=1S/C15H23NO3/c1-12(17)6-5-9-16(2)11-13-7-8-14(18-3)10-15(13)19-4/h7-8,10H,5-6,9,11H2,1-4H3
InChIKeyFFPHMBOXZOSZRX-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.50
Rot. Bonds8

About 5-[(2,4-dimethoxyphenyl)methyl-methylamino]pentan-2-one

5-[(2,4-dimethoxyphenyl)methyl-methylamino]pentan-2-one (PubChem CID 115236585) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 5-[(2,4-dimethoxyphenyl)methyl-methylamino]pentan-2-one.

Molecular Properties

Compound Name5-[(2,4-dimethoxyphenyl)methyl-methylamino]pentan-2-one
PubChem CID115236585
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name5-[(2,4-dimethoxyphenyl)methyl-methylamino]pentan-2-one
SMILESCOc1ccc(CN(C)CCCC(C)=O)c(OC)c1
InChIInChI=1S/C15H23NO3/c1-12(17)6-5-9-16(2)11-13-7-8-14(18-3)10-15(13)19-4/h7-8,10H,5-6,9,11H2,1-4H3
InChIKeyFFPHMBOXZOSZRX-UHFFFAOYSA-N
XLogP2.50
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2,5-dimethoxyphenyl)methyl-methylamino]pentan-2-one
CID 115236571
2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetic acid
CID 60712632
5-(2,5-dimethoxy-N-methylanilino)pentan-2-one
CID 115236316
5-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]pentan-2-one
CID 115236595
3-[(2,4-dimethoxyphenyl)methyl-methylamino]-1-(2,6-dimethoxy-4-pyridinyl)propan-1-one
CID 130407748
(2,4-dimethoxyphenyl)methyl-methylcarbamic acid
CID 115170960
N-[(2,4-dimethoxyphenyl)methyl]-5-oxohexanamide
CID 71443665
(2,4-dimethoxyphenyl)methyl-methylcarbamothioic S-acid
CID 115170104
4-[(4-methoxy-2,3-dimethylphenyl)methyl-methylamino]butan-2-one
CID 115235817
N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylacetamide
CID 115191281
N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 94687468
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-4-(methylamino)butanamide
CID 119682698

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dimethoxyphenyl)methyl-methylamino]pentan-2-one?
The IUPAC name of 5-[(2,4-dimethoxyphenyl)methyl-methylamino]pentan-2-one (CID 115236585) is 5-[(2,4-dimethoxyphenyl)methyl-methylamino]pentan-2-one.
What is the SMILES notation for 5-[(2,4-dimethoxyphenyl)methyl-methylamino]pentan-2-one?
The canonical SMILES for 5-[(2,4-dimethoxyphenyl)methyl-methylamino]pentan-2-one is COc1ccc(CN(C)CCCC(C)=O)c(OC)c1.
What is the InChIKey of 5-[(2,4-dimethoxyphenyl)methyl-methylamino]pentan-2-one?
The InChIKey is FFPHMBOXZOSZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-12(17)6-5-9-16(2)11-13-7-8-14(18-3)10-15(13)19-4/h7-8,10H,5-6,9,11H2,1-4H3.
What are the key properties of 5-[(2,4-dimethoxyphenyl)methyl-methylamino]pentan-2-one?
5-[(2,4-dimethoxyphenyl)methyl-methylamino]pentan-2-one has a molecular weight of 265.35 g/mol, XLogP of 2.50, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dimethoxyphenyl)methyl-methylamino]pentan-2-one is sourced from PubChem (CID 115236585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).