1-[4-methoxy-3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]ethanone

C16H25NO2 — CID 63965306

IUPAC1-[4-methoxy-3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]ethanone
SMILESCCC(C)(C)N(C)Cc1cc(C(C)=O)ccc1OC
InChIInChI=1S/C16H25NO2/c1-7-16(3,4)17(5)11-14-10-13(12(2)18)8-9-15(14)19-6/h8-10H,7,11H2,1-6H3
InChIKeyXNOLWHPVUMQNIY-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.52
Rot. Bonds6

About 1-[4-methoxy-3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]ethanone

1-[4-methoxy-3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]ethanone (PubChem CID 63965306) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[4-methoxy-3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-methoxy-3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]ethanone
PubChem CID63965306
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-[4-methoxy-3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]ethanone
SMILESCCC(C)(C)N(C)Cc1cc(C(C)=O)ccc1OC
InChIInChI=1S/C16H25NO2/c1-7-16(3,4)17(5)11-14-10-13(12(2)18)8-9-15(14)19-6/h8-10H,7,11H2,1-6H3
InChIKeyXNOLWHPVUMQNIY-UHFFFAOYSA-N
XLogP3.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-methoxy-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]ethanone
CID 60893124
2-(5-acetyl-2-methoxyphenyl)-N,N-dimethylacetamide
CID 78792072
[4-methoxy-3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]boronic acid
CID 63967318
1-[3-(hydroxymethyl)-4-methoxyphenyl]ethanone
CID 4689851
2-(5-acetyl-2-methoxyphenyl)acetic acid
CID 2535148
2-[(5-acetyl-2-methoxyphenyl)methyl-methylamino]-N-tert-butylacetamide
CID 8766908
1-[3-[[benzhydryl(methyl)amino]methyl]-4-methoxyphenyl]ethanone
CID 46630509
2-[(5-acetyl-2-methoxyphenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide
CID 62923869
2-(5-acetyl-2-methoxyphenyl)-N-butan-2-yl-N-methylacetamide
CID 134006092
1-[3-[[3-hydroxybutyl(methyl)amino]methyl]-4-methoxyphenyl]ethanone
CID 115665994
(5-acetyl-2-methoxyphenyl)methyl-diethylazanium
CID 6943942
1-[3-(ethylsulfanylmethyl)-4-methoxyphenyl]ethanone
CID 43789568

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]ethanone?
The IUPAC name of 1-[4-methoxy-3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]ethanone (CID 63965306) is 1-[4-methoxy-3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-methoxy-3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]ethanone?
The canonical SMILES for 1-[4-methoxy-3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]ethanone is CCC(C)(C)N(C)Cc1cc(C(C)=O)ccc1OC.
What is the InChIKey of 1-[4-methoxy-3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]ethanone?
The InChIKey is XNOLWHPVUMQNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-7-16(3,4)17(5)11-14-10-13(12(2)18)8-9-15(14)19-6/h8-10H,7,11H2,1-6H3.
What are the key properties of 1-[4-methoxy-3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]ethanone?
1-[4-methoxy-3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]ethanone has a molecular weight of 263.38 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]ethanone is sourced from PubChem (CID 63965306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).