2-hydroxy-1-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propan-1-one

C14H21NO3 — CID 116826840

IUPAC2-hydroxy-1-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propan-1-one
SMILESCNCC(O)C(=O)c1c(C)cc(C)c(C)c1OC
InChIInChI=1S/C14H21NO3/c1-8-6-9(2)12(14(18-5)10(8)3)13(17)11(16)7-15-4/h6,11,15-16H,7H2,1-5H3
InChIKeyDJMPRZMZEMWDQU-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.38
Rot. Bonds5

About 2-hydroxy-1-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propan-1-one

2-hydroxy-1-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propan-1-one (PubChem CID 116826840) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-hydroxy-1-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propan-1-one
PubChem CID116826840
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-hydroxy-1-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propan-1-one
SMILESCNCC(O)C(=O)c1c(C)cc(C)c(C)c1OC
InChIInChI=1S/C14H21NO3/c1-8-6-9(2)12(14(18-5)10(8)3)13(17)11(16)7-15-4/h6,11,15-16H,7H2,1-5H3
InChIKeyDJMPRZMZEMWDQU-UHFFFAOYSA-N
XLogP1.38
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxy-3,4,6-trimethylphenyl)-2-(methylamino)ethanone
CID 116915325
1-(2-methoxy-3,4,6-trimethylphenyl)-N'-methylethane-1,2-diamine
CID 116932540
2-methoxy-3,4,6-trimethylbenzoyl chloride
CID 116924656
2-chloro-1-(2-methoxy-3,4,6-trimethylphenyl)ethanol
CID 116863607
1-(2-methoxy-3,4,6-trimethylphenyl)-3-methylsulfanylpropan-1-one
CID 116830919
methyl 2-(2-methoxy-3,4,6-trimethylphenyl)-2-(methylamino)acetate
CID 116857056
3-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propanoic acid
CID 116953051
(E)-4-(2-methoxy-3,4,6-trimethylphenyl)-4-oxobut-2-enoic acid
CID 116919495
1-(3-fluoro-4-methoxyphenyl)-2-hydroxy-3-(methylamino)propan-1-one
CID 116826719
3-amino-2-hydroxy-1-(4-methoxy-2,3,6-trimethylphenyl)propan-1-one
CID 116826679
methyl N-(2-methoxy-3,4,6-trimethylphenyl)carbamate
CID 115190424
1-(2,4-dimethylphenyl)-2-hydroxy-3-(methylamino)propan-1-one
CID 116826723

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propan-1-one?
The IUPAC name of 2-hydroxy-1-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propan-1-one (CID 116826840) is 2-hydroxy-1-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propan-1-one.
What is the SMILES notation for 2-hydroxy-1-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propan-1-one?
The canonical SMILES for 2-hydroxy-1-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propan-1-one is CNCC(O)C(=O)c1c(C)cc(C)c(C)c1OC.
What is the InChIKey of 2-hydroxy-1-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propan-1-one?
The InChIKey is DJMPRZMZEMWDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-8-6-9(2)12(14(18-5)10(8)3)13(17)11(16)7-15-4/h6,11,15-16H,7H2,1-5H3.
What are the key properties of 2-hydroxy-1-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propan-1-one?
2-hydroxy-1-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propan-1-one has a molecular weight of 251.33 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propan-1-one is sourced from PubChem (CID 116826840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).